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

C15H18N4O2 — CID 125441914

IUPAC3-cyclopropyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESCn1ccnc1[C@@H](NC(=O)c1cc(C2CC2)no1)C1CC1
InChIInChI=1S/C15H18N4O2/c1-19-7-6-16-14(19)13(10-4-5-10)17-15(20)12-8-11(18-21-12)9-2-3-9/h6-10,13H,2-5H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyZEVLZTNSYIIZBD-ZDUSSCGKSA-N
MW286.33 g/mol
LogP2.17
Rot. Bonds5

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

3-cyclopropyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 125441914) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID125441914
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-cyclopropyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESCn1ccnc1[C@@H](NC(=O)c1cc(C2CC2)no1)C1CC1
InChIInChI=1S/C15H18N4O2/c1-19-7-6-16-14(19)13(10-4-5-10)17-15(20)12-8-11(18-21-12)9-2-3-9/h6-10,13H,2-5H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyZEVLZTNSYIIZBD-ZDUSSCGKSA-N
XLogP2.17
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide (CID 125441914) is 3-cyclopropyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide is Cn1ccnc1[C@@H](NC(=O)c1cc(C2CC2)no1)C1CC1.
What is the InChIKey of 3-cyclopropyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is ZEVLZTNSYIIZBD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-19-7-6-16-14(19)13(10-4-5-10)17-15(20)12-8-11(18-21-12)9-2-3-9/h6-10,13H,2-5H2,1H3,(H,17,20)/t13-/m0/s1.
What are the key properties of 3-cyclopropyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide?
3-cyclopropyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 125441914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).