2-cyclopropyl-N-[(1S)-1-[1-(hydroxymethyl)cyclopentyl]-2-methylpropyl]-4-methyl-1,3-oxazole-5-carboxamide

C18H28N2O3 — CID 164633710

IUPAC2-cyclopropyl-N-[(1S)-1-[1-(hydroxymethyl)cyclopentyl]-2-methylpropyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C2CC2)oc1C(=O)N[C@@H](C(C)C)C1(CO)CCCC1
InChIInChI=1S/C18H28N2O3/c1-11(2)15(18(10-21)8-4-5-9-18)20-16(22)14-12(3)19-17(23-14)13-6-7-13/h11,13,15,21H,4-10H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyUSAPCVIOAHWROU-HNNXBMFYSA-N
MW320.43 g/mol
LogP3.17
Rot. Bonds6

About 2-cyclopropyl-N-[(1S)-1-[1-(hydroxymethyl)cyclopentyl]-2-methylpropyl]-4-methyl-1,3-oxazole-5-carboxamide

2-cyclopropyl-N-[(1S)-1-[1-(hydroxymethyl)cyclopentyl]-2-methylpropyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 164633710) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1S)-1-[1-(hydroxymethyl)cyclopentyl]-2-methylpropyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1S)-1-[1-(hydroxymethyl)cyclopentyl]-2-methylpropyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID164633710
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-cyclopropyl-N-[(1S)-1-[1-(hydroxymethyl)cyclopentyl]-2-methylpropyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C2CC2)oc1C(=O)N[C@@H](C(C)C)C1(CO)CCCC1
InChIInChI=1S/C18H28N2O3/c1-11(2)15(18(10-21)8-4-5-9-18)20-16(22)14-12(3)19-17(23-14)13-6-7-13/h11,13,15,21H,4-10H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyUSAPCVIOAHWROU-HNNXBMFYSA-N
XLogP3.17
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 120522817
N-[(1-carbamoylcyclopentyl)methyl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide
CID 166212342
1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 120530085
2-[1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 120537730
3-(4-bromophenyl)-3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
CID 120516143
methyl 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylate
CID 130703206
7-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]heptanoic acid
CID 120524103
3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-2-phenylpropanoic acid
CID 120528887
N-[1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-4-methyl-1H-pyrrole-3-carboxamide
CID 126827767
2-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-methylamino]-2-methylpropanoic acid
CID 120518882
N-[1-[2-(carbamoylamino)propanoyl]pyrrolidin-3-yl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide
CID 166380260
N-[(3S)-1-[(2S)-2-(carbamoylamino)propanoyl]pyrrolidin-3-yl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide
CID 166380259

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1S)-1-[1-(hydroxymethyl)cyclopentyl]-2-methylpropyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(1S)-1-[1-(hydroxymethyl)cyclopentyl]-2-methylpropyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 164633710) is 2-cyclopropyl-N-[(1S)-1-[1-(hydroxymethyl)cyclopentyl]-2-methylpropyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(1S)-1-[1-(hydroxymethyl)cyclopentyl]-2-methylpropyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(1S)-1-[1-(hydroxymethyl)cyclopentyl]-2-methylpropyl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1nc(C2CC2)oc1C(=O)N[C@@H](C(C)C)C1(CO)CCCC1.
What is the InChIKey of 2-cyclopropyl-N-[(1S)-1-[1-(hydroxymethyl)cyclopentyl]-2-methylpropyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is USAPCVIOAHWROU-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-11(2)15(18(10-21)8-4-5-9-18)20-16(22)14-12(3)19-17(23-14)13-6-7-13/h11,13,15,21H,4-10H2,1-3H3,(H,20,22)/t15-/m0/s1.
What are the key properties of 2-cyclopropyl-N-[(1S)-1-[1-(hydroxymethyl)cyclopentyl]-2-methylpropyl]-4-methyl-1,3-oxazole-5-carboxamide?
2-cyclopropyl-N-[(1S)-1-[1-(hydroxymethyl)cyclopentyl]-2-methylpropyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1S)-1-[1-(hydroxymethyl)cyclopentyl]-2-methylpropyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 164633710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).