(3S)-3-(2-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide

C23H21N3O2 — CID 92709784

IUPAC(3S)-3-(2-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide
SMILESCc1ccccc1[C@H](CC(=O)Nc1ccc(-c2ccno2)cc1)n1cccc1
InChIInChI=1S/C23H21N3O2/c1-17-6-2-3-7-20(17)21(26-14-4-5-15-26)16-23(27)25-19-10-8-18(9-11-19)22-12-13-24-28-22/h2-15,21H,16H2,1H3,(H,25,27)/t21-/m0/s1
InChIKeyFTZYNISIBKGPKE-NRFANRHFSA-N
MW371.44 g/mol
LogP5.07
Rot. Bonds6

About (3S)-3-(2-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide

(3S)-3-(2-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide (PubChem CID 92709784) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is (3S)-3-(2-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3S)-3-(2-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide
PubChem CID92709784
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name(3S)-3-(2-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide
SMILESCc1ccccc1[C@H](CC(=O)Nc1ccc(-c2ccno2)cc1)n1cccc1
InChIInChI=1S/C23H21N3O2/c1-17-6-2-3-7-20(17)21(26-14-4-5-15-26)16-23(27)25-19-10-8-18(9-11-19)22-12-13-24-28-22/h2-15,21H,16H2,1H3,(H,25,27)/t21-/m0/s1
InChIKeyFTZYNISIBKGPKE-NRFANRHFSA-N
XLogP5.07
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3S)-3-(2-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide (CID 92709784) is (3S)-3-(2-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3S)-3-(2-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3S)-3-(2-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide is Cc1ccccc1[C@H](CC(=O)Nc1ccc(-c2ccno2)cc1)n1cccc1.
What is the InChIKey of (3S)-3-(2-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide?
The InChIKey is FTZYNISIBKGPKE-NRFANRHFSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-17-6-2-3-7-20(17)21(26-14-4-5-15-26)16-23(27)25-19-10-8-18(9-11-19)22-12-13-24-28-22/h2-15,21H,16H2,1H3,(H,25,27)/t21-/m0/s1.
What are the key properties of (3S)-3-(2-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide?
(3S)-3-(2-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide has a molecular weight of 371.44 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 92709784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).