1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylurea

C19H23N5O2 — CID 118764961

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylurea
SMILESCc1cc(C)n(-c2ccc(NC(=O)N(C)Cc3c(C)noc3C)cc2)n1
InChIInChI=1S/C19H23N5O2/c1-12-10-13(2)24(21-12)17-8-6-16(7-9-17)20-19(25)23(5)11-18-14(3)22-26-15(18)4/h6-10H,11H2,1-5H3,(H,20,25)
InChIKeyWFXIEXUCWQNCOC-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.76
Rot. Bonds4

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylurea

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylurea (PubChem CID 118764961) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylurea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylurea
PubChem CID118764961
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylurea
SMILESCc1cc(C)n(-c2ccc(NC(=O)N(C)Cc3c(C)noc3C)cc2)n1
InChIInChI=1S/C19H23N5O2/c1-12-10-13(2)24(21-12)17-8-6-16(7-9-17)20-19(25)23(5)11-18-14(3)22-26-15(18)4/h6-10H,11H2,1-5H3,(H,20,25)
InChIKeyWFXIEXUCWQNCOC-UHFFFAOYSA-N
XLogP3.76
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 86987980
3-(3-chlorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 47172079
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea
CID 47192595
N-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55742389
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]acetamide
CID 139911276
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 71984797
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 51085319
3-(6-tert-butylpyridazin-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 99696852
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4862154
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(5-methyl-2,1,3-benzothiadiazol-4-yl)urea
CID 118763789
2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]acetic acid
CID 119172398

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylurea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylurea (CID 118764961) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylurea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylurea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylurea is Cc1cc(C)n(-c2ccc(NC(=O)N(C)Cc3c(C)noc3C)cc2)n1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylurea?
The InChIKey is WFXIEXUCWQNCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12-10-13(2)24(21-12)17-8-6-16(7-9-17)20-19(25)23(5)11-18-14(3)22-26-15(18)4/h6-10H,11H2,1-5H3,(H,20,25).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylurea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylurea has a molecular weight of 353.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylurea is sourced from PubChem (CID 118764961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).