N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-5-oxopyrrolidine-2-carboxamide

C14H15N3O3 — CID 110794636

IUPACN-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1nc2ccc(CNC(=O)C3CCC(=O)N3)cc2o1
InChIInChI=1S/C14H15N3O3/c1-8-16-10-3-2-9(6-12(10)20-8)7-15-14(19)11-4-5-13(18)17-11/h2-3,6,11H,4-5,7H2,1H3,(H,15,19)(H,17,18)
InChIKeyZHWQAYFMRLXIKX-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.03
Rot. Bonds3

About N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-5-oxopyrrolidine-2-carboxamide

N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110794636) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110794636
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1nc2ccc(CNC(=O)C3CCC(=O)N3)cc2o1
InChIInChI=1S/C14H15N3O3/c1-8-16-10-3-2-9(6-12(10)20-8)7-15-14(19)11-4-5-13(18)17-11/h2-3,6,11H,4-5,7H2,1H3,(H,15,19)(H,17,18)
InChIKeyZHWQAYFMRLXIKX-UHFFFAOYSA-N
XLogP1.03
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]cyclopropanecarboxamide
CID 110791040
N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793335
N-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793891
5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 110794754
2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
CID 110794633
N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110794394
N-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110471718
4-(methylamino)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]butanamide
CID 115155728
(2S)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 94889865
N-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793549
N-[2-(1,3-benzoxazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110741045
2-(1H-indol-3-yl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
CID 110794630

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 110794636) is N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-5-oxopyrrolidine-2-carboxamide is Cc1nc2ccc(CNC(=O)C3CCC(=O)N3)cc2o1.
What is the InChIKey of N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ZHWQAYFMRLXIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8-16-10-3-2-9(6-12(10)20-8)7-15-14(19)11-4-5-13(18)17-11/h2-3,6,11H,4-5,7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110794636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).