1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea

C18H25N3O4 — CID 111426876

IUPAC1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
SMILESO=C(NCCn1c(=O)oc2ccccc21)NCC1(O)CCCCCC1
InChIInChI=1S/C18H25N3O4/c22-16(20-13-18(24)9-5-1-2-6-10-18)19-11-12-21-14-7-3-4-8-15(14)25-17(21)23/h3-4,7-8,24H,1-2,5-6,9-13H2,(H2,19,20,22)
InChIKeyURZGQAZRBOXSSU-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.98
Rot. Bonds5

About 1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea

1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea (PubChem CID 111426876) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
PubChem CID111426876
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
SMILESO=C(NCCn1c(=O)oc2ccccc21)NCC1(O)CCCCCC1
InChIInChI=1S/C18H25N3O4/c22-16(20-13-18(24)9-5-1-2-6-10-18)19-11-12-21-14-7-3-4-8-15(14)25-17(21)23/h3-4,7-8,24H,1-2,5-6,9-13H2,(H2,19,20,22)
InChIKeyURZGQAZRBOXSSU-UHFFFAOYSA-N
XLogP1.98
TPSA96.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-ethyl-2-hydroxypentyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
CID 111115241
1-(3-hydroxy-4-methylpentyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
CID 111506042
1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 81167448
1-(2-methyl-2-methylsulfanylpropyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
CID 71990219
1-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 86992273
1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-oxo-1-pyridinyl)butyl]urea
CID 111426906
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
CID 110012412
3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 33268074
1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122001108
3-(2-oxo-1,3-benzoxazol-3-yl)propanenitrile
CID 2799290
N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 82344583
1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936673

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea?
The IUPAC name of 1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea (CID 111426876) is 1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea?
The canonical SMILES for 1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea is O=C(NCCn1c(=O)oc2ccccc21)NCC1(O)CCCCCC1.
What is the InChIKey of 1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea?
The InChIKey is URZGQAZRBOXSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c22-16(20-13-18(24)9-5-1-2-6-10-18)19-11-12-21-14-7-3-4-8-15(14)25-17(21)23/h3-4,7-8,24H,1-2,5-6,9-13H2,(H2,19,20,22).
What are the key properties of 1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea?
1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea has a molecular weight of 347.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea is sourced from PubChem (CID 111426876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).