1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea

C17H17N3O3S — CID 111443081

IUPAC1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
SMILESO=C(NCC(O)c1ccsc1)Nc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C17H17N3O3S/c21-14(11-5-6-24-9-11)8-18-17(22)19-12-3-4-15-13(7-12)20-16(23-15)10-1-2-10/h3-7,9-10,14,21H,1-2,8H2,(H2,18,19,22)
InChIKeyWLQVPZRNSPXWFX-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.62
Rot. Bonds5

About 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea

1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea (PubChem CID 111443081) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
PubChem CID111443081
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
SMILESO=C(NCC(O)c1ccsc1)Nc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C17H17N3O3S/c21-14(11-5-6-24-9-11)8-18-17(22)19-12-3-4-15-13(7-12)20-16(23-15)10-1-2-10/h3-7,9-10,14,21H,1-2,8H2,(H2,18,19,22)
InChIKeyWLQVPZRNSPXWFX-UHFFFAOYSA-N
XLogP3.62
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-hydroxy-2-thiophen-3-ylethyl)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

4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)carbamoylamino]butanoic acid
CID 122075730
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103577
N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]-N-methylthiophene-3-carboxamide
CID 71887459
1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 90496696
1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea
CID 71895854
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[[4-(methylsulfonylmethyl)phenyl]methyl]urea
CID 47050889
1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111442955
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852
1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
CID 111859352
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(methanesulfonamido)propanamide
CID 47924751
(2S,3S)-2-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 61178533
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754574

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The IUPAC name of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea (CID 111443081) is 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea.
What is the SMILES notation for 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The canonical SMILES for 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea is O=C(NCC(O)c1ccsc1)Nc1ccc2oc(C3CC3)nc2c1.
What is the InChIKey of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The InChIKey is WLQVPZRNSPXWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c21-14(11-5-6-24-9-11)8-18-17(22)19-12-3-4-15-13(7-12)20-16(23-15)10-1-2-10/h3-7,9-10,14,21H,1-2,8H2,(H2,18,19,22).
What are the key properties of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea has a molecular weight of 343.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea is sourced from PubChem (CID 111443081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).