N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide

C24H25N3O3 — CID 93140608

About N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide

N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 93140608) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
• PubChem CID: 93140608
• Molecular Formula: C24H25N3O3
• Molecular Weight: 403.48 g/mol
• Exact Mass: 403.19
• IUPAC Name: N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
• SMILES: Cc1ccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)NC3CC3)no2)cc1C
• InChI: InChI=1S/C24H25N3O3/c1-15-8-9-18(12-16(15)2)22-14-21(27-30-22)24(29)26-20(23(28)25-19-10-11-19)13-17-6-4-3-5-7-17/h3-9,12,14,19-20H,10-11,13H2,1-2H3,(H,25,28)(H,26,29)/t20-/m1/s1
• InChIKey: VNRNKBOEUWKTNV-HXUWFJFHSA-N
• XLogP: 3.58
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.48
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide (CID 93140608) is N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)NC3CC3)no2)cc1C.

What is the InChIKey of N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide?

The InChIKey is VNRNKBOEUWKTNV-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-15-8-9-18(12-16(15)2)22-14-21(27-30-22)24(29)26-20(23(28)25-19-10-11-19)13-17-6-4-3-5-7-17/h3-9,12,14,19-20H,10-11,13H2,1-2H3,(H,25,28)(H,26,29)/t20-/m1/s1.

What are the key properties of N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide?

N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 93140608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).