1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

C14H17N3O3 — CID 108812106

IUPAC1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCOc1ccc(C(C)NC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C14H17N3O3/c1-9-8-13(17-20-9)16-14(18)15-10(2)11-4-6-12(19-3)7-5-11/h4-8,10H,1-3H3,(H2,15,16,17,18)
InChIKeyIFVXQHUVOKFNJL-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.87
Rot. Bonds4

About 1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 108812106) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID108812106
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCOc1ccc(C(C)NC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C14H17N3O3/c1-9-8-13(17-20-9)16-14(18)15-10(2)11-4-6-12(19-3)7-5-11/h4-8,10H,1-3H3,(H2,15,16,17,18)
InChIKeyIFVXQHUVOKFNJL-UHFFFAOYSA-N
XLogP2.87
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94016916
methyl (3R)-3-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]propanoate
CID 97185103
1-[(1R)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94031272
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 51264449
1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 94017430
1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108869400
1-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 95132957
1-[4-[1-(methylamino)ethyl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 61339817
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 8949491
N'-[(1S)-1-(4-ethylphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 51959353
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]amino]ethyl]sulfanylacetamide
CID 36612644

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 108812106) is 1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is COc1ccc(C(C)NC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is IFVXQHUVOKFNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-8-13(17-20-9)16-14(18)15-10(2)11-4-6-12(19-3)7-5-11/h4-8,10H,1-3H3,(H2,15,16,17,18).
What are the key properties of 1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 275.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108812106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).