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

C16H21N3O5 — CID 18101661

IUPAC1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]urea
SMILESCOc1ccc(CN(C)C(=O)Nc2cc(C)on2)c(OC)c1OC
InChIInChI=1S/C16H21N3O5/c1-10-8-13(18-24-10)17-16(20)19(2)9-11-6-7-12(21-3)15(23-5)14(11)22-4/h6-8H,9H2,1-5H3,(H,17,18,20)
InChIKeyJBDXQEFZYYNMHD-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.67
Rot. Bonds6

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

1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]urea (PubChem CID 18101661) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]urea
PubChem CID18101661
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Name1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]urea
SMILESCOc1ccc(CN(C)C(=O)Nc2cc(C)on2)c(OC)c1OC
InChIInChI=1S/C16H21N3O5/c1-10-8-13(18-24-10)17-16(20)19(2)9-11-6-7-12(21-3)15(23-5)14(11)22-4/h6-8H,9H2,1-5H3,(H,17,18,20)
InChIKeyJBDXQEFZYYNMHD-UHFFFAOYSA-N
XLogP2.67
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-phenylacetamide
CID 16576213
2-(2,4-dimethoxy-3-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110769878
1-[(2-chlorophenyl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47125477
N,4-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 17399115
N'-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)propanediamide
CID 108956802
2-(3-chloro-4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110767105
2-(5-bromo-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110767842
3-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109040419
5-chloro-2-methoxy-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 51267404
N-(2-methoxy-5-methylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955831
N,2-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 18113258
(2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 34714704

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]urea?
The IUPAC name of 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]urea (CID 18101661) is 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]urea?
The canonical SMILES for 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]urea is COc1ccc(CN(C)C(=O)Nc2cc(C)on2)c(OC)c1OC.
What is the InChIKey of 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]urea?
The InChIKey is JBDXQEFZYYNMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-10-8-13(18-24-10)17-16(20)19(2)9-11-6-7-12(21-3)15(23-5)14(11)22-4/h6-8H,9H2,1-5H3,(H,17,18,20).
What are the key properties of 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]urea?
1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]urea has a molecular weight of 335.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]urea is sourced from PubChem (CID 18101661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).