3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide

C16H17N3O3 — CID 43911430

IUPAC3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)on1
InChIInChI=1S/C16H17N3O3/c1-11-10-14(22-18-11)15(20)17-13-6-4-12(5-7-13)16(21)19-8-2-3-9-19/h4-7,10H,2-3,8-9H2,1H3,(H,17,20)
InChIKeyFITNYVDBGBGPOY-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.47
Rot. Bonds3

About 3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide

3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 43911430) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID43911430
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)on1
InChIInChI=1S/C16H17N3O3/c1-11-10-14(22-18-11)15(20)17-13-6-4-12(5-7-13)16(21)19-8-2-3-9-19/h4-7,10H,2-3,8-9H2,1H3,(H,17,20)
InChIKeyFITNYVDBGBGPOY-UHFFFAOYSA-N
XLogP2.47
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 21432228
N-[4-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166409111
3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide
CID 35277906
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911460
3-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 17429991
1-[4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528030
N-[4-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 9035306
5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46327470
N-[4-(azepane-1-carbonyl)phenyl]-3-methylbenzamide
CID 17198989
3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 106910483
N-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide
CID 17199012

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide (CID 43911430) is 3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)on1.
What is the InChIKey of 3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is FITNYVDBGBGPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-10-14(22-18-11)15(20)17-13-6-4-12(5-7-13)16(21)19-8-2-3-9-19/h4-7,10H,2-3,8-9H2,1H3,(H,17,20).
What are the key properties of 3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43911430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).