N-[(3R,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide

C19H30N4O3 — CID 155495582

IUPACN-[(3R,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N[C@H]1C[C@H]2CO[C@H](C(C)C)CN2C1
InChIInChI=1S/C19H30N4O3/c1-11(2)17-9-23-8-14(7-15(23)10-26-17)22-18(24)6-5-16-12(3)20-19(25)21-13(16)4/h11,14-15,17H,5-10H2,1-4H3,(H,22,24)(H,20,21,25)/t14-,15-,17-/m0/s1
InChIKeyBZSIYTIKZVUUKA-ZOBUZTSGSA-N
MW362.47 g/mol
LogP0.93
Rot. Bonds5

About N-[(3R,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide

N-[(3R,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 155495582) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[(3R,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-[(3R,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID155495582
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC NameN-[(3R,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N[C@H]1C[C@H]2CO[C@H](C(C)C)CN2C1
InChIInChI=1S/C19H30N4O3/c1-11(2)17-9-23-8-14(7-15(23)10-26-17)22-18(24)6-5-16-12(3)20-19(25)21-13(16)4/h11,14-15,17H,5-10H2,1-4H3,(H,22,24)(H,20,21,25)/t14-,15-,17-/m0/s1
InChIKeyBZSIYTIKZVUUKA-ZOBUZTSGSA-N
XLogP0.93
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3R,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide with MolForge

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Related Compounds

N-[3-[[(3R,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]amino]-3-oxopropyl]-4-fluorobenzamide
CID 155500874
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methylpyrazol-1-yl)cyclohexyl]propanamide
CID 176503263
2-[5-[(1S)-1-amino-2-methylpropyl]-3-methyl-1,2,4-triazol-1-yl]-N-[(3R,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]acetamide;dihydrochloride
CID 163334503
N-[(3R,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-phenylphenyl)acetamide
CID 155494870
N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
CID 133118436
1-[(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-propan-2-ylurea
CID 155918402
N-[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1H-benzimidazole-2-carboxamide
CID 155501718
N-[(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 155497065
N-[(3R,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-chloro-5-methylbenzamide
CID 155492693
N-[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 155499021
N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
CID 91777813
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide
CID 118782087

Frequently Asked Questions

What is the IUPAC name of N-[(3R,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-[(3R,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide (CID 155495582) is N-[(3R,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-[(3R,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-[(3R,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide is Cc1nc(=O)[nH]c(C)c1CCC(=O)N[C@H]1C[C@H]2CO[C@H](C(C)C)CN2C1.
What is the InChIKey of N-[(3R,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is BZSIYTIKZVUUKA-ZOBUZTSGSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-11(2)17-9-23-8-14(7-15(23)10-26-17)22-18(24)6-5-16-12(3)20-19(25)21-13(16)4/h11,14-15,17H,5-10H2,1-4H3,(H,22,24)(H,20,21,25)/t14-,15-,17-/m0/s1.
What are the key properties of N-[(3R,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide?
N-[(3R,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 362.47 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 155495582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).