1-(2-hydroxy-3-phenylpropyl)-3-(1,2-oxazol-3-ylmethyl)urea

C14H17N3O3 — CID 111603989

IUPAC1-(2-hydroxy-3-phenylpropyl)-3-(1,2-oxazol-3-ylmethyl)urea
SMILESO=C(NCc1ccon1)NCC(O)Cc1ccccc1
InChIInChI=1S/C14H17N3O3/c18-13(8-11-4-2-1-3-5-11)10-16-14(19)15-9-12-6-7-20-17-12/h1-7,13,18H,8-10H2,(H2,15,16,19)
InChIKeyOUAHNVWQORYVPN-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.08
Rot. Bonds6

About 1-(2-hydroxy-3-phenylpropyl)-3-(1,2-oxazol-3-ylmethyl)urea

1-(2-hydroxy-3-phenylpropyl)-3-(1,2-oxazol-3-ylmethyl)urea (PubChem CID 111603989) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(2-hydroxy-3-phenylpropyl)-3-(1,2-oxazol-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-3-phenylpropyl)-3-(1,2-oxazol-3-ylmethyl)urea
PubChem CID111603989
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-(2-hydroxy-3-phenylpropyl)-3-(1,2-oxazol-3-ylmethyl)urea
SMILESO=C(NCc1ccon1)NCC(O)Cc1ccccc1
InChIInChI=1S/C14H17N3O3/c18-13(8-11-4-2-1-3-5-11)10-16-14(19)15-9-12-6-7-20-17-12/h1-7,13,18H,8-10H2,(H2,15,16,19)
InChIKeyOUAHNVWQORYVPN-UHFFFAOYSA-N
XLogP1.08
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 56826094
2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]butanoic acid
CID 81177239
1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111102261
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937015
1-amino-3-(1,2-oxazol-3-ylmethyl)urea
CID 81177768
2-benzyl-3-[[2-(1,2-oxazol-3-yl)acetyl]amino]propanoic acid
CID 119233717
1-(1,2-oxazol-3-ylmethyl)-3-propylurea
CID 115672343
1-(2-hydroxy-3-phenylpropyl)-3-(3-methylsulfanylpropyl)urea
CID 111434483
3-[2-(1,2-oxazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid
CID 107274113
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
1-[(4-fluoro-3-methylphenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937008
N-[(2R)-2-hydroxy-3-phenylpropyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 97227511

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-phenylpropyl)-3-(1,2-oxazol-3-ylmethyl)urea?
The IUPAC name of 1-(2-hydroxy-3-phenylpropyl)-3-(1,2-oxazol-3-ylmethyl)urea (CID 111603989) is 1-(2-hydroxy-3-phenylpropyl)-3-(1,2-oxazol-3-ylmethyl)urea.
What is the SMILES notation for 1-(2-hydroxy-3-phenylpropyl)-3-(1,2-oxazol-3-ylmethyl)urea?
The canonical SMILES for 1-(2-hydroxy-3-phenylpropyl)-3-(1,2-oxazol-3-ylmethyl)urea is O=C(NCc1ccon1)NCC(O)Cc1ccccc1.
What is the InChIKey of 1-(2-hydroxy-3-phenylpropyl)-3-(1,2-oxazol-3-ylmethyl)urea?
The InChIKey is OUAHNVWQORYVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-13(8-11-4-2-1-3-5-11)10-16-14(19)15-9-12-6-7-20-17-12/h1-7,13,18H,8-10H2,(H2,15,16,19).
What are the key properties of 1-(2-hydroxy-3-phenylpropyl)-3-(1,2-oxazol-3-ylmethyl)urea?
1-(2-hydroxy-3-phenylpropyl)-3-(1,2-oxazol-3-ylmethyl)urea has a molecular weight of 275.31 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-phenylpropyl)-3-(1,2-oxazol-3-ylmethyl)urea is sourced from PubChem (CID 111603989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).