1-(2-methoxy-5-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea

C19H21N3O4 — CID 50797422

IUPAC1-(2-methoxy-5-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
SMILESCCCn1c(=O)oc2cc(NC(=O)Nc3cc(C)ccc3OC)ccc21
InChIInChI=1S/C19H21N3O4/c1-4-9-22-15-7-6-13(11-17(15)26-19(22)24)20-18(23)21-14-10-12(2)5-8-16(14)25-3/h5-8,10-11H,4,9H2,1-3H3,(H2,20,21,23)
InChIKeyOJQZXZHROAVYPK-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.97
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea

1-(2-methoxy-5-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea (PubChem CID 50797422) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
PubChem CID50797422
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
SMILESCCCn1c(=O)oc2cc(NC(=O)Nc3cc(C)ccc3OC)ccc21
InChIInChI=1S/C19H21N3O4/c1-4-9-22-15-7-6-13(11-17(15)26-19(22)24)20-18(23)21-14-10-12(2)5-8-16(14)25-3/h5-8,10-11H,4,9H2,1-3H3,(H2,20,21,23)
InChIKeyOJQZXZHROAVYPK-UHFFFAOYSA-N
XLogP3.97
TPSA85.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50796889
1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50744018
1-(4-methoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797054
1-(3,5-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797367
1-(4-chlorophenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50796890
1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea
CID 50797317
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea
CID 50796887
3-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzamide
CID 50796693
1-(4-bromo-2-fluorophenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 50796615
1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
2,4-dimethyl-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346422

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea (CID 50797422) is 1-(2-methoxy-5-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea is CCCn1c(=O)oc2cc(NC(=O)Nc3cc(C)ccc3OC)ccc21.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea?
The InChIKey is OJQZXZHROAVYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-4-9-22-15-7-6-13(11-17(15)26-19(22)24)20-18(23)21-14-10-12(2)5-8-16(14)25-3/h5-8,10-11H,4,9H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea?
1-(2-methoxy-5-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea has a molecular weight of 355.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 50797422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).