methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]cyclopentane-1-carboxylate

C16H18N2O4 — CID 75448517

IUPACmethyl 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1C(=O)Nc1ccc2oc(C)nc2c1
InChIInChI=1S/C16H18N2O4/c1-9-17-13-8-10(6-7-14(13)22-9)18-15(19)11-4-3-5-12(11)16(20)21-2/h6-8,11-12H,3-5H2,1-2H3,(H,18,19)
InChIKeyMLUGMCWPTPCJGB-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.66
Rot. Bonds3

About methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]cyclopentane-1-carboxylate

methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]cyclopentane-1-carboxylate (PubChem CID 75448517) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]cyclopentane-1-carboxylate
PubChem CID75448517
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Namemethyl 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1C(=O)Nc1ccc2oc(C)nc2c1
InChIInChI=1S/C16H18N2O4/c1-9-17-13-8-10(6-7-14(13)22-9)18-15(19)11-4-3-5-12(11)16(20)21-2/h6-8,11-12H,3-5H2,1-2H3,(H,18,19)
InChIKeyMLUGMCWPTPCJGB-UHFFFAOYSA-N
XLogP2.66
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
CID 112525589
2-(2,3-dihydroindole-1-carbonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
CID 42893823
2-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974727
(2S,4S)-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide
CID 120631938
tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate
CID 65142575
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604979
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
1-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea
CID 126141306
N-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine
CID 28675875
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]cyclopentane-1-carboxylate (CID 75448517) is methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1C(=O)Nc1ccc2oc(C)nc2c1.
What is the InChIKey of methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]cyclopentane-1-carboxylate?
The InChIKey is MLUGMCWPTPCJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-9-17-13-8-10(6-7-14(13)22-9)18-15(19)11-4-3-5-12(11)16(20)21-2/h6-8,11-12H,3-5H2,1-2H3,(H,18,19).
What are the key properties of methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]cyclopentane-1-carboxylate?
methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]cyclopentane-1-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 75448517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).