3-cyclopropyl-5-methyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-1,2-oxazole-4-carboxamide

C16H22N4O2 — CID 164632652

IUPAC3-cyclopropyl-5-methyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(C2CC2)c1C(=O)NC[C@H](C)Cn1ccnc1C
InChIInChI=1S/C16H22N4O2/c1-10(9-20-7-6-17-12(20)3)8-18-16(21)14-11(2)22-19-15(14)13-4-5-13/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,18,21)/t10-/m0/s1
InChIKeyNOYARTBEEIELIE-JTQLQIEISA-N
MW302.38 g/mol
LogP2.43
Rot. Bonds6

About 3-cyclopropyl-5-methyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-1,2-oxazole-4-carboxamide

3-cyclopropyl-5-methyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-1,2-oxazole-4-carboxamide (PubChem CID 164632652) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-cyclopropyl-5-methyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-5-methyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-1,2-oxazole-4-carboxamide
PubChem CID164632652
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3-cyclopropyl-5-methyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(C2CC2)c1C(=O)NC[C@H](C)Cn1ccnc1C
InChIInChI=1S/C16H22N4O2/c1-10(9-20-7-6-17-12(20)3)8-18-16(21)14-11(2)22-19-15(14)13-4-5-13/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,18,21)/t10-/m0/s1
InChIKeyNOYARTBEEIELIE-JTQLQIEISA-N
XLogP2.43
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1H-imidazol-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 3241714
5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 5309956
(3-Ethyl-5-methyl-1,2-oxazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 33112388
(3,5-Dimethyl-1,2-oxazol-4-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53612086
3-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 53623428
3-(1H-imidazol-2-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
CID 84585206
N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 97467573
(3,5-dimethyl-4-isoxazolyl)[(R)-3-{[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperidyl]methanone
CID 99994121
(1S*,5R*)-6-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-(1H-imidazol-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133111395
3-(3,5-dimethylisoxazol-4-yl)-1-(4-((2-ethyl-1H-imidazol-1-yl)methyl)piperidin-1-yl)propan-1-one
CID 56724022
(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
CID 75529726
N-(2-(2-cyclopropyl-1H-imidazol-1-yl)ethyl)-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide
CID 91628982

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-methyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-cyclopropyl-5-methyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-1,2-oxazole-4-carboxamide (CID 164632652) is 3-cyclopropyl-5-methyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-5-methyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-5-methyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-1,2-oxazole-4-carboxamide is Cc1onc(C2CC2)c1C(=O)NC[C@H](C)Cn1ccnc1C.
What is the InChIKey of 3-cyclopropyl-5-methyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-1,2-oxazole-4-carboxamide?
The InChIKey is NOYARTBEEIELIE-JTQLQIEISA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10(9-20-7-6-17-12(20)3)8-18-16(21)14-11(2)22-19-15(14)13-4-5-13/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,18,21)/t10-/m0/s1.
What are the key properties of 3-cyclopropyl-5-methyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-1,2-oxazole-4-carboxamide?
3-cyclopropyl-5-methyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-1,2-oxazole-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-methyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 164632652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).