N-cyclopentyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide

C17H17N3O3 — CID 134075411

IUPACN-cyclopentyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESCc1nc(-c2noc3ccc(C(=O)NC4CCCC4)cc23)co1
InChIInChI=1S/C17H17N3O3/c1-10-18-14(9-22-10)16-13-8-11(6-7-15(13)23-20-16)17(21)19-12-4-2-3-5-12/h6-9,12H,2-5H2,1H3,(H,19,21)
InChIKeyGOXRNTZDJFOCPS-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.46
Rot. Bonds3

About N-cyclopentyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide

N-cyclopentyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide (PubChem CID 134075411) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-cyclopentyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
PubChem CID134075411
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-cyclopentyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESCc1nc(-c2noc3ccc(C(=O)NC4CCCC4)cc23)co1
InChIInChI=1S/C17H17N3O3/c1-10-18-14(9-22-10)16-13-8-11(6-7-15(13)23-20-16)17(21)19-12-4-2-3-5-12/h6-9,12H,2-5H2,1H3,(H,19,21)
InChIKeyGOXRNTZDJFOCPS-UHFFFAOYSA-N
XLogP3.46
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-Isoxazol-3-ylethyl){[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}methylamine
CID 16192044
N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97407378
N-(2-methoxyethyl)-N-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97446393
3-(2-ethyl-1,3-oxazol-4-yl)-N-(2-methoxyethyl)-N-methyl-1,2-benzoxazole-5-carboxamide
CID 97446405
3-(2-methyl-1,3-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97526234
N-[2-(dimethylamino)ethyl]-3-(2-ethyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97526244
N-(furan-2-ylmethyl)-2-(5-(2-methyl-2,3-dihydrobenzofuran-5-yl)isoxazol-3-yl)acetamide
CID 44044977
3,5-dimethyl-N-{(3R*,4S*)-4-[(3-methylisoxazol-5-yl)methyl]tetrahydrofuran-3-yl}-1-benzofuran-2-carboxamide
CID 72857736
5-[5-(2-Ethyl-6-methyl-4-oxazol-2-yl-phenoxy)pentyl]-3-methyl-isoxazole
CID 5273096
2-Butyl-5-{[2-(5-isopropylisoxazol-3-yl)pyrrolidin-1-yl]carbonyl}-1,3-benzoxazole
CID 72840517
[3-[2-(4-Fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97361849
1-[3-[2-(4-Fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-2-pyridin-2-ylethanone
CID 134689580

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide (CID 134075411) is N-cyclopentyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide is Cc1nc(-c2noc3ccc(C(=O)NC4CCCC4)cc23)co1.
What is the InChIKey of N-cyclopentyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The InChIKey is GOXRNTZDJFOCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10-18-14(9-22-10)16-13-8-11(6-7-15(13)23-20-16)17(21)19-12-4-2-3-5-12/h6-9,12H,2-5H2,1H3,(H,19,21).
What are the key properties of N-cyclopentyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
N-cyclopentyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 134075411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).