1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea

C16H21N3O3 — CID 111450234

IUPAC1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea
SMILESCc1nc(NC(=O)NC(CCCO)c2ccccc2)oc1C
InChIInChI=1S/C16H21N3O3/c1-11-12(2)22-16(17-11)19-15(21)18-14(9-6-10-20)13-7-4-3-5-8-13/h3-5,7-8,14,20H,6,9-10H2,1-2H3,(H2,17,18,19,21)
InChIKeyTWZUMQXHXVGJPD-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.93
Rot. Bonds6

About 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea

1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea (PubChem CID 111450234) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea
PubChem CID111450234
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea
SMILESCc1nc(NC(=O)NC(CCCO)c2ccccc2)oc1C
InChIInChI=1S/C16H21N3O3/c1-11-12(2)22-16(17-11)19-15(21)18-14(9-6-10-20)13-7-4-3-5-8-13/h3-5,7-8,14,20H,6,9-10H2,1-2H3,(H2,17,18,19,21)
InChIKeyTWZUMQXHXVGJPD-UHFFFAOYSA-N
XLogP2.93
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea?
The IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea (CID 111450234) is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea is Cc1nc(NC(=O)NC(CCCO)c2ccccc2)oc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea?
The InChIKey is TWZUMQXHXVGJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-12(2)22-16(17-11)19-15(21)18-14(9-6-10-20)13-7-4-3-5-8-13/h3-5,7-8,14,20H,6,9-10H2,1-2H3,(H2,17,18,19,21).
What are the key properties of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea?
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea has a molecular weight of 303.36 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea is sourced from PubChem (CID 111450234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).