1-cyclopentyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea

C15H19N3O3 — CID 110775565

IUPAC1-cyclopentyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea
SMILESCn1c(=O)oc2cc(CNC(=O)NC3CCCC3)ccc21
InChIInChI=1S/C15H19N3O3/c1-18-12-7-6-10(8-13(12)21-15(18)20)9-16-14(19)17-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H2,16,17,19)
InChIKeyBZPFCJULOJCKJV-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.87
Rot. Bonds3

About 1-cyclopentyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea

1-cyclopentyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea (PubChem CID 110775565) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea
PubChem CID110775565
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-cyclopentyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea
SMILESCn1c(=O)oc2cc(CNC(=O)NC3CCCC3)ccc21
InChIInChI=1S/C15H19N3O3/c1-18-12-7-6-10(8-13(12)21-15(18)20)9-16-14(19)17-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H2,16,17,19)
InChIKeyBZPFCJULOJCKJV-UHFFFAOYSA-N
XLogP1.87
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-2-oxopropanamide
CID 115175681
2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methylamino]-2-oxoacetic acid
CID 115141348
3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methylamino]-3-oxopropanoic acid
CID 115163423
3-chloro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]propanamide
CID 115162532
3,3-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]butanamide
CID 110786656
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]cyclopentanecarboxamide
CID 110786846
1-benzyl-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]urea
CID 110776292
1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea
CID 167846340
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]cyclopropanecarboxamide
CID 110792130
2-amino-3-hydroxy-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]propanamide
CID 115179895
1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(oxan-4-yl)urea
CID 110608289
N-cyclohexyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]acetamide
CID 71683883

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea (CID 110775565) is 1-cyclopentyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea is Cn1c(=O)oc2cc(CNC(=O)NC3CCCC3)ccc21.
What is the InChIKey of 1-cyclopentyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea?
The InChIKey is BZPFCJULOJCKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-18-12-7-6-10(8-13(12)21-15(18)20)9-16-14(19)17-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H2,16,17,19).
What are the key properties of 1-cyclopentyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea?
1-cyclopentyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea has a molecular weight of 289.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea is sourced from PubChem (CID 110775565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).