cis-(1S,3S)-N,2,2-trimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C16H24N2O2 — CID 94151392

About cis-(1S,3S)-N,2,2-trimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

cis-(1S,3S)-N,2,2-trimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 94151392) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is cis-(1S,3S)-N,2,2-trimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,3S)-N,2,2-trimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
• PubChem CID: 94151392
• Molecular Formula: C16H24N2O2
• Molecular Weight: 276.38 g/mol
• Exact Mass: 276.18
• IUPAC Name: cis-(1S,3S)-N,2,2-trimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
• SMILES: CC(C)=C[C@H]1[C@H](C(=O)N(C)Cc2cc(C)on2)C1(C)C
• InChI: InChI=1S/C16H24N2O2/c1-10(2)7-13-14(16(13,4)5)15(19)18(6)9-12-8-11(3)20-17-12/h7-8,13-14H,9H2,1-6H3/t13-,14+/m0/s1
• InChIKey: VFZBRFBWBBZXME-UONOGXRCSA-N
• XLogP: 3.18
• TPSA: 46.34 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	276.38
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-N,2,2-trimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?

The IUPAC name of cis-(1S,3S)-N,2,2-trimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 94151392) is cis-(1S,3S)-N,2,2-trimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1S,3S)-N,2,2-trimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?

The canonical SMILES for cis-(1S,3S)-N,2,2-trimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=C[C@H]1[C@H](C(=O)N(C)Cc2cc(C)on2)C1(C)C.

What is the InChIKey of cis-(1S,3S)-N,2,2-trimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?

The InChIKey is VFZBRFBWBBZXME-UONOGXRCSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10(2)7-13-14(16(13,4)5)15(19)18(6)9-12-8-11(3)20-17-12/h7-8,13-14H,9H2,1-6H3/t13-,14+/m0/s1.

What are the key properties of cis-(1S,3S)-N,2,2-trimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?

cis-(1S,3S)-N,2,2-trimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,3S)-N,2,2-trimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 94151392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).