1-(3-methyl-1,2-oxazol-5-yl)-3-(4-phenylmethoxyphenyl)urea

C18H17N3O3 — CID 59381123

IUPAC1-(3-methyl-1,2-oxazol-5-yl)-3-(4-phenylmethoxyphenyl)urea
SMILESCc1cc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)on1
InChIInChI=1S/C18H17N3O3/c1-13-11-17(24-21-13)20-18(22)19-15-7-9-16(10-8-15)23-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H2,19,20,22)
InChIKeyVLGUMTPUJSMFQQ-UHFFFAOYSA-N
MW323.35 g/mol
LogP4.21
Rot. Bonds5

About 1-(3-methyl-1,2-oxazol-5-yl)-3-(4-phenylmethoxyphenyl)urea

1-(3-methyl-1,2-oxazol-5-yl)-3-(4-phenylmethoxyphenyl)urea (PubChem CID 59381123) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-(3-methyl-1,2-oxazol-5-yl)-3-(4-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-methyl-1,2-oxazol-5-yl)-3-(4-phenylmethoxyphenyl)urea
PubChem CID59381123
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name1-(3-methyl-1,2-oxazol-5-yl)-3-(4-phenylmethoxyphenyl)urea
SMILESCc1cc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)on1
InChIInChI=1S/C18H17N3O3/c1-13-11-17(24-21-13)20-18(22)19-15-7-9-16(10-8-15)23-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H2,19,20,22)
InChIKeyVLGUMTPUJSMFQQ-UHFFFAOYSA-N
XLogP4.21
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea
CID 2811727
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea
CID 154857483
3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 109042013
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)acetamide
CID 9314271
3-methyl-N-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911371
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
1-(4-phenylmethoxyphenyl)-3-(2-propan-2-yloxyphenyl)urea
CID 108992099
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 27650114
1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea
CID 2956271
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)urea
CID 59380913
2-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 113098761

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)-3-(4-phenylmethoxyphenyl)urea?
The IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)-3-(4-phenylmethoxyphenyl)urea (CID 59381123) is 1-(3-methyl-1,2-oxazol-5-yl)-3-(4-phenylmethoxyphenyl)urea.
What is the SMILES notation for 1-(3-methyl-1,2-oxazol-5-yl)-3-(4-phenylmethoxyphenyl)urea?
The canonical SMILES for 1-(3-methyl-1,2-oxazol-5-yl)-3-(4-phenylmethoxyphenyl)urea is Cc1cc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)on1.
What is the InChIKey of 1-(3-methyl-1,2-oxazol-5-yl)-3-(4-phenylmethoxyphenyl)urea?
The InChIKey is VLGUMTPUJSMFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-13-11-17(24-21-13)20-18(22)19-15-7-9-16(10-8-15)23-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H2,19,20,22).
What are the key properties of 1-(3-methyl-1,2-oxazol-5-yl)-3-(4-phenylmethoxyphenyl)urea?
1-(3-methyl-1,2-oxazol-5-yl)-3-(4-phenylmethoxyphenyl)urea has a molecular weight of 323.35 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-oxazol-5-yl)-3-(4-phenylmethoxyphenyl)urea is sourced from PubChem (CID 59381123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).