1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea

C16H21N3O3 — CID 111473573

IUPAC1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea
SMILESCc1nc2ccc(NC(=O)NC3CCCC3(C)CO)cc2o1
InChIInChI=1S/C16H21N3O3/c1-10-17-12-6-5-11(8-13(12)22-10)18-15(21)19-14-4-3-7-16(14,2)9-20/h5-6,8,14,20H,3-4,7,9H2,1-2H3,(H2,18,19,21)
InChIKeyNSFIOWFKQQAZDO-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.81
Rot. Bonds3

About 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea (PubChem CID 111473573) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea
PubChem CID111473573
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea
SMILESCc1nc2ccc(NC(=O)NC3CCCC3(C)CO)cc2o1
InChIInChI=1S/C16H21N3O3/c1-10-17-12-6-5-11(8-13(12)22-10)18-15(21)19-14-4-3-7-16(14,2)9-20/h5-6,8,14,20H,3-4,7,9H2,1-2H3,(H2,18,19,21)
InChIKeyNSFIOWFKQQAZDO-UHFFFAOYSA-N
XLogP2.81
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472706
1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473192
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylpyrimidin-5-yl)urea
CID 111486885
2-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974727
1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-benzoxazol-6-yl)urea
CID 110894504
1-(2-methyl-1,3-benzoxazol-6-yl)-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
CID 124568953
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 111473384
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea
CID 97054067
1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473081
1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111926785
1-(2-methyl-1,3-benzoxazol-6-yl)-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 95349793

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea (CID 111473573) is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea is Cc1nc2ccc(NC(=O)NC3CCCC3(C)CO)cc2o1.
What is the InChIKey of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea?
The InChIKey is NSFIOWFKQQAZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10-17-12-6-5-11(8-13(12)22-10)18-15(21)19-14-4-3-7-16(14,2)9-20/h5-6,8,14,20H,3-4,7,9H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea?
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea has a molecular weight of 303.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 111473573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).