N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide

C21H26N4O2 — CID 154819814

IUPACN-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)cc1C1CC1
InChIInChI=1S/C21H26N4O2/c1-24-19(14-7-8-14)10-18(23-24)21(26)22-16-9-17-13-27-20(12-25(17)11-16)15-5-3-2-4-6-15/h2-6,10,14,16-17,20H,7-9,11-13H2,1H3,(H,22,26)/t16-,17-,20+/m0/s1
InChIKeyHLCAMRFUZKURRT-ABSDTBQOSA-N
MW366.47 g/mol
LogP2.24
Rot. Bonds4

About N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide

N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide (PubChem CID 154819814) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide
PubChem CID154819814
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)cc1C1CC1
InChIInChI=1S/C21H26N4O2/c1-24-19(14-7-8-14)10-18(23-24)21(26)22-16-9-17-13-27-20(12-25(17)11-16)15-5-3-2-4-6-15/h2-6,10,14,16-17,20H,7-9,11-13H2,1H3,(H,22,26)/t16-,17-,20+/m0/s1
InChIKeyHLCAMRFUZKURRT-ABSDTBQOSA-N
XLogP2.24
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]pyridine-4-carboxamide
CID 154820381
N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 155505652
N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 154821183
N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3,5-difluoropyridine-2-carboxamide
CID 155493306
N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-fluoro-4-hydroxybenzamide
CID 155503999
2-[(1S)-1-amino-3-methylbutyl]-N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 163334280
N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(1,2,4-triazol-1-yl)benzamide
CID 155503009
N-[2-[[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]amino]-2-oxoethyl]benzamide
CID 154822716
N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-methyloxetane-3-carboxamide
CID 155502996
N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-[cyclopentyl(methyl)amino]acetamide
CID 155506593
N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 155494001
N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 155495814

Frequently Asked Questions

What is the IUPAC name of N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide (CID 154819814) is N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)cc1C1CC1.
What is the InChIKey of N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide?
The InChIKey is HLCAMRFUZKURRT-ABSDTBQOSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-24-19(14-7-8-14)10-18(23-24)21(26)22-16-9-17-13-27-20(12-25(17)11-16)15-5-3-2-4-6-15/h2-6,10,14,16-17,20H,7-9,11-13H2,1H3,(H,22,26)/t16-,17-,20+/m0/s1.
What are the key properties of N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide?
N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 154819814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).