(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide

C23H22N4O3 — CID 72926983

IUPAC(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cc(CN2CCC[C@H]2C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)on1
InChIInChI=1S/C23H22N4O3/c1-15-13-18(30-26-15)14-27-12-4-6-20(27)22(28)24-17-10-8-16(9-11-17)23-25-19-5-2-3-7-21(19)29-23/h2-3,5,7-11,13,20H,4,6,12,14H2,1H3,(H,24,28)/t20-/m0/s1
InChIKeyWUZCCWVZDAIVHH-FQEVSTJZSA-N
MW402.45 g/mol
LogP4.39
Rot. Bonds5

About (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide

(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 72926983) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID72926983
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cc(CN2CCC[C@H]2C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)on1
InChIInChI=1S/C23H22N4O3/c1-15-13-18(30-26-15)14-27-12-4-6-20(27)22(28)24-17-10-8-16(9-11-17)23-25-19-5-2-3-7-21(19)29-23/h2-3,5,7-11,13,20H,4,6,12,14H2,1H3,(H,24,28)/t20-/m0/s1
InChIKeyWUZCCWVZDAIVHH-FQEVSTJZSA-N
XLogP4.39
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxamide
CID 26407533
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-propanoylpiperidine-2-carboxamide
CID 129380761
N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide
CID 777186
ethyl 4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 24599468
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide
CID 42891680
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 110909635
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
tert-butyl (2R)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 80709145
1-(3-methyl-1,2-oxazole-5-carbonyl)-N-phenylpyrrolidine-2-carboxamide
CID 51077333
(2R)-N-(4-acetylphenyl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide
CID 97427914
N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 55493015
N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pent-4-enoylpiperidine-4-carboxamide
CID 45223847

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide (CID 72926983) is (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide is Cc1cc(CN2CCC[C@H]2C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)on1.
What is the InChIKey of (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is WUZCCWVZDAIVHH-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-15-13-18(30-26-15)14-27-12-4-6-20(27)22(28)24-17-10-8-16(9-11-17)23-25-19-5-2-3-7-21(19)29-23/h2-3,5,7-11,13,20H,4,6,12,14H2,1H3,(H,24,28)/t20-/m0/s1.
What are the key properties of (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide?
(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 72926983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).