[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl N-cyclopentylcarbamate

C23H24N2O3 — CID 141295959

IUPAC[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl N-cyclopentylcarbamate
SMILESCc1noc(-c2ccc(-c3ccccc3)cc2)c1COC(=O)NC1CCCC1
InChIInChI=1S/C23H24N2O3/c1-16-21(15-27-23(26)24-20-9-5-6-10-20)22(28-25-16)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-4,7-8,11-14,20H,5-6,9-10,15H2,1H3,(H,24,26)
InChIKeyQQHHABITIIYWMW-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.49
Rot. Bonds5

About [3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl N-cyclopentylcarbamate

[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl N-cyclopentylcarbamate (PubChem CID 141295959) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is [3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl N-cyclopentylcarbamate.

Molecular Properties

Compound Name[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl N-cyclopentylcarbamate
PubChem CID141295959
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl N-cyclopentylcarbamate
SMILESCc1noc(-c2ccc(-c3ccccc3)cc2)c1COC(=O)NC1CCCC1
InChIInChI=1S/C23H24N2O3/c1-16-21(15-27-23(26)24-20-9-5-6-10-20)22(28-25-16)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-4,7-8,11-14,20H,5-6,9-10,15H2,1H3,(H,24,26)
InChIKeyQQHHABITIIYWMW-UHFFFAOYSA-N
XLogP5.49
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]acetamide
CID 141295964
4-[4-(cyclopentylmethyl)-3-methyl-1,2-oxazol-5-yl]phenol
CID 175053393
[5-(4-cyclohexyloxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate
CID 167131352
benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
CID 15932630
4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)butanamide
CID 123973953
3-[[4-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]methyl]cyclobutane-1-carboxylic acid
CID 155415126
cyclohexanecarboxylic acid;2-methylbutyl N-[[5-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl]carbamate
CID 142610738
methyl N-[[5-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl]carbamate
CID 142610795
benzyl N-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]cyclobutyl]carbamate
CID 103393541
1-[4-[4-[4-[(cyclopropylmethylamino)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66578438
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-phenylphenoxy)acetate
CID 2364688

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl N-cyclopentylcarbamate?
The IUPAC name of [3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl N-cyclopentylcarbamate (CID 141295959) is [3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl N-cyclopentylcarbamate.
What is the SMILES notation for [3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl N-cyclopentylcarbamate?
The canonical SMILES for [3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl N-cyclopentylcarbamate is Cc1noc(-c2ccc(-c3ccccc3)cc2)c1COC(=O)NC1CCCC1.
What is the InChIKey of [3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl N-cyclopentylcarbamate?
The InChIKey is QQHHABITIIYWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16-21(15-27-23(26)24-20-9-5-6-10-20)22(28-25-16)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-4,7-8,11-14,20H,5-6,9-10,15H2,1H3,(H,24,26).
What are the key properties of [3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl N-cyclopentylcarbamate?
[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl N-cyclopentylcarbamate has a molecular weight of 376.46 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl N-cyclopentylcarbamate is sourced from PubChem (CID 141295959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).