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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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).