1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-pentan-3-ylurea

C15H18ClN3O2 — CID 86807496

IUPAC1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-pentan-3-ylurea
SMILESCCC(CC)NC(=O)Nc1nc(-c2ccccc2Cl)co1
InChIInChI=1S/C15H18ClN3O2/c1-3-10(4-2)17-14(20)19-15-18-13(9-21-15)11-7-5-6-8-12(11)16/h5-10H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyFSZKQTBDQGTWEF-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.31
Rot. Bonds5

About 1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-pentan-3-ylurea

1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-pentan-3-ylurea (PubChem CID 86807496) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-pentan-3-ylurea.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-pentan-3-ylurea
PubChem CID86807496
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-pentan-3-ylurea
SMILESCCC(CC)NC(=O)Nc1nc(-c2ccccc2Cl)co1
InChIInChI=1S/C15H18ClN3O2/c1-3-10(4-2)17-14(20)19-15-18-13(9-21-15)11-7-5-6-8-12(11)16/h5-10H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyFSZKQTBDQGTWEF-UHFFFAOYSA-N
XLogP4.31
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Chlorophenyl)-1,3-oxazol-2-amine
CID 12425131
Acetamide, N-(4-phenyl-2-oxazolyl)-
CID 37199
4-Phenyl-1,3-oxazol-2-amine
CID 520605
4-(2-Chlorophenyl)-1,3-oxazol-2-amine
CID 62065008
N-[[3-[2-[(N'-butylcarbamimidoyl)amino]-1,3-oxazol-4-yl]phenyl]methyl]acetamide
CID 11099546
2-(N-Butyl-isobutyramido)-4-phenyloxazole
CID 12556919
N-Butyl-N-[4-(4-chlorophenyl)-1,3-oxazol-2-YL]-2-methylpropanamide
CID 12556920
(E)-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide
CID 56930627
N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide
CID 56931178
N-(4-chlorophenyl)-4-(4-fluorophenyl)-1,3-oxazol-2-amine
CID 14923073
2-(N-Butylamino)-4-phenyloxazole
CID 12295238
4-[4-Chloro-3-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine
CID 69713897

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-pentan-3-ylurea?
The IUPAC name of 1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-pentan-3-ylurea (CID 86807496) is 1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-pentan-3-ylurea.
What is the SMILES notation for 1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-pentan-3-ylurea?
The canonical SMILES for 1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-pentan-3-ylurea is CCC(CC)NC(=O)Nc1nc(-c2ccccc2Cl)co1.
What is the InChIKey of 1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-pentan-3-ylurea?
The InChIKey is FSZKQTBDQGTWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-3-10(4-2)17-14(20)19-15-18-13(9-21-15)11-7-5-6-8-12(11)16/h5-10H,3-4H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-pentan-3-ylurea?
1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-pentan-3-ylurea has a molecular weight of 307.78 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-pentan-3-ylurea is sourced from PubChem (CID 86807496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).