1-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-propylurea

C14H17N3O3 — CID 110402428

IUPAC1-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-propylurea
SMILESCCCNC(=O)Nc1oncc1-c1ccc(OC)cc1
InChIInChI=1S/C14H17N3O3/c1-3-8-15-14(18)17-13-12(9-16-20-13)10-4-6-11(19-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H2,15,17,18)
InChIKeyQMQYXWUDXSCEKF-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.88
Rot. Bonds5

About 1-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-propylurea

1-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-propylurea (PubChem CID 110402428) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-propylurea.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-propylurea
PubChem CID110402428
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-propylurea
SMILESCCCNC(=O)Nc1oncc1-c1ccc(OC)cc1
InChIInChI=1S/C14H17N3O3/c1-3-8-15-14(18)17-13-12(9-16-20-13)10-4-6-11(19-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H2,15,17,18)
InChIKeyQMQYXWUDXSCEKF-UHFFFAOYSA-N
XLogP2.88
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]butane-1-sulfonamide
CID 110402437
2-(2-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 110402410
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-methylbenzamide
CID 110402364
3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide
CID 110402400
3-(2-methoxyphenyl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide
CID 110402430
3-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanoic acid
CID 105423672
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 22228481
1-[(4-methoxyphenyl)methyl]-3-propylurea
CID 41355184
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide
CID 110402439
1-(2-amino-4-methoxyphenyl)-3-propylurea
CID 28785607
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
CID 110402463
1-dodecyl-3-(4-methoxyphenyl)urea
CID 172727415

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-propylurea?
The IUPAC name of 1-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-propylurea (CID 110402428) is 1-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-propylurea.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-propylurea?
The canonical SMILES for 1-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-propylurea is CCCNC(=O)Nc1oncc1-c1ccc(OC)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-propylurea?
The InChIKey is QMQYXWUDXSCEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-8-15-14(18)17-13-12(9-16-20-13)10-4-6-11(19-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H2,15,17,18).
What are the key properties of 1-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-propylurea?
1-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-propylurea has a molecular weight of 275.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-propylurea is sourced from PubChem (CID 110402428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).