1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea

C14H16ClN3O3 — CID 110907885

IUPAC1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea
SMILESCc1nc(NC(=O)NCC(O)c2ccc(Cl)cc2)oc1C
InChIInChI=1S/C14H16ClN3O3/c1-8-9(2)21-14(17-8)18-13(20)16-7-12(19)10-3-5-11(15)6-4-10/h3-6,12,19H,7H2,1-2H3,(H2,16,17,18,20)
InChIKeyNBBAYDADLSTGKF-UHFFFAOYSA-N
MW309.75 g/mol
LogP2.80
Rot. Bonds4

About 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea

1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea (PubChem CID 110907885) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea
PubChem CID110907885
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea
SMILESCc1nc(NC(=O)NCC(O)c2ccc(Cl)cc2)oc1C
InChIInChI=1S/C14H16ClN3O3/c1-8-9(2)21-14(17-8)18-13(20)16-7-12(19)10-3-5-11(15)6-4-10/h3-6,12,19H,7H2,1-2H3,(H2,16,17,18,20)
InChIKeyNBBAYDADLSTGKF-UHFFFAOYSA-N
XLogP2.80
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea (CID 110907885) is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea is Cc1nc(NC(=O)NCC(O)c2ccc(Cl)cc2)oc1C.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea?
The InChIKey is NBBAYDADLSTGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-8-9(2)21-14(17-8)18-13(20)16-7-12(19)10-3-5-11(15)6-4-10/h3-6,12,19H,7H2,1-2H3,(H2,16,17,18,20).
What are the key properties of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea?
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea has a molecular weight of 309.75 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea is sourced from PubChem (CID 110907885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).