N-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide

C17H26N4O5 — CID 155503994

IUPACN-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)N[C@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)c1CO
InChIInChI=1S/C17H26N4O5/c1-10-14(8-22)16(19-26-10)17(24)18-11-4-12-9-25-13(7-21(12)6-11)5-15(23)20(2)3/h11-13,22H,4-9H2,1-3H3,(H,18,24)/t11-,12-,13-/m0/s1
InChIKeyLKZCDSFWBWCSPF-AVGNSLFASA-N
MW366.42 g/mol
LogP-0.47
Rot. Bonds5

About N-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide

N-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 155503994) has the molecular formula C17H26N4O5 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID155503994
Molecular FormulaC17H26N4O5
Molecular Weight366.42 g/mol
Exact Mass366.19
IUPAC NameN-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)N[C@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)c1CO
InChIInChI=1S/C17H26N4O5/c1-10-14(8-22)16(19-26-10)17(24)18-11-4-12-9-25-13(7-21(12)6-11)5-15(23)20(2)3/h11-13,22H,4-9H2,1-3H3,(H,18,24)/t11-,12-,13-/m0/s1
InChIKeyLKZCDSFWBWCSPF-AVGNSLFASA-N
XLogP-0.47
TPSA108.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[(3S,7R,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-methylpyridine-3-carboxamide
CID 155492504
N-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-fluoro-2-methylbenzamide
CID 155491870
N-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(dimethylamino)benzamide
CID 155493360
N-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methyl-1-benzofuran-5-carboxamide
CID 155493772
N-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-propan-2-yloxybenzamide
CID 155497195
2-[(3S,7R,8aS)-7-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]-N,N-dimethylacetamide
CID 155497258
N-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 155504452
N-[(3S,7R,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 155502399
N-[(3S,7R,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-pyridin-3-ylpropanamide
CID 155499779
N-[(3S,7R,8aS)-3-(2-hydroxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-methyl-1H-imidazole-4-carboxamide;formic acid
CID 163334480
N-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 155500145
(2S)-N-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-amino-3-(1H-imidazol-5-yl)propanamide;dihydrochloride
CID 163334137

Frequently Asked Questions

What is the IUPAC name of N-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 155503994) is N-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)N[C@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)c1CO.
What is the InChIKey of N-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is LKZCDSFWBWCSPF-AVGNSLFASA-N. The full InChI is InChI=1S/C17H26N4O5/c1-10-14(8-22)16(19-26-10)17(24)18-11-4-12-9-25-13(7-21(12)6-11)5-15(23)20(2)3/h11-13,22H,4-9H2,1-3H3,(H,18,24)/t11-,12-,13-/m0/s1.
What are the key properties of N-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155503994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).