(3R)-N-[[2-(2-benzamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C27H30N4O4 — CID 42371375

IUPAC(3R)-N-[[2-(2-benzamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1oc(-c2ccccc2NC(=O)c2ccccc2)nc1CNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1
InChIInChI=1S/C27H30N4O4/c1-17(2)15-31-16-20(13-24(31)32)25(33)28-14-23-18(3)35-27(30-23)21-11-7-8-12-22(21)29-26(34)19-9-5-4-6-10-19/h4-12,17,20H,13-16H2,1-3H3,(H,28,33)(H,29,34)/t20-/m1/s1
InChIKeyGDTRRBQWGCKEJX-HXUWFJFHSA-N
MW474.56 g/mol
LogP4.02
Rot. Bonds8

About (3R)-N-[[2-(2-benzamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[[2-(2-benzamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 42371375) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is (3R)-N-[[2-(2-benzamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[2-(2-benzamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID42371375
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name(3R)-N-[[2-(2-benzamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1oc(-c2ccccc2NC(=O)c2ccccc2)nc1CNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1
InChIInChI=1S/C27H30N4O4/c1-17(2)15-31-16-20(13-24(31)32)25(33)28-14-23-18(3)35-27(30-23)21-11-7-8-12-22(21)29-26(34)19-9-5-4-6-10-19/h4-12,17,20H,13-16H2,1-3H3,(H,28,33)(H,29,34)/t20-/m1/s1
InChIKeyGDTRRBQWGCKEJX-HXUWFJFHSA-N
XLogP4.02
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 42483984
N-[2-[4-[[[(2R)-2-methoxy-2-phenylacetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide
CID 42433589
3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 166178785
1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46109453
(3R)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95127546
1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113182040
(3R)-N-[[4-(dimethylamino)phenyl]methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 37004002
N-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 66109437
N-[[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrazol-1-ylbenzamide
CID 42321965
N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 47025507
(3S)-1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 94125427
N-[(6-chloro-3-pyridinyl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 166541739

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[2-(2-benzamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[[2-(2-benzamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 42371375) is (3R)-N-[[2-(2-benzamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[2-(2-benzamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[2-(2-benzamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is Cc1oc(-c2ccccc2NC(=O)c2ccccc2)nc1CNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1.
What is the InChIKey of (3R)-N-[[2-(2-benzamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GDTRRBQWGCKEJX-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-17(2)15-31-16-20(13-24(31)32)25(33)28-14-23-18(3)35-27(30-23)21-11-7-8-12-22(21)29-26(34)19-9-5-4-6-10-19/h4-12,17,20H,13-16H2,1-3H3,(H,28,33)(H,29,34)/t20-/m1/s1.
What are the key properties of (3R)-N-[[2-(2-benzamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[[2-(2-benzamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[2-(2-benzamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42371375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).