3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-1-(pyridin-4-ylmethyl)urea

C14H18N4O2 — CID 47862151

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
SMILESCc1noc(C)c1CNC(=O)N(C)Cc1ccncc1
InChIInChI=1S/C14H18N4O2/c1-10-13(11(2)20-17-10)8-16-14(19)18(3)9-12-4-6-15-7-5-12/h4-7H,8-9H2,1-3H3,(H,16,19)
InChIKeyNQWJZTYDMXIVAT-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.03
Rot. Bonds4

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-1-(pyridin-4-ylmethyl)urea (PubChem CID 47862151) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-1-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
PubChem CID47862151
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
SMILESCc1noc(C)c1CNC(=O)N(C)Cc1ccncc1
InChIInChI=1S/C14H18N4O2/c1-10-13(11(2)20-17-10)8-16-14(19)18(3)9-12-4-6-15-7-5-12/h4-7H,8-9H2,1-3H3,(H,16,19)
InChIKeyNQWJZTYDMXIVAT-UHFFFAOYSA-N
XLogP2.03
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea
CID 115604567
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-ylmethyl)-1-methylurea
CID 47863150
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 71981692
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 75462199
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 47039288
3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 55794546
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 97314303
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)pyridine-4-carboxamide
CID 105070606
2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 79242133
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 79241738
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]urea
CID 86831379
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 134028802

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-1-(pyridin-4-ylmethyl)urea?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-1-(pyridin-4-ylmethyl)urea (CID 47862151) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-1-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-1-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-1-(pyridin-4-ylmethyl)urea is Cc1noc(C)c1CNC(=O)N(C)Cc1ccncc1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-1-(pyridin-4-ylmethyl)urea?
The InChIKey is NQWJZTYDMXIVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-13(11(2)20-17-10)8-16-14(19)18(3)9-12-4-6-15-7-5-12/h4-7H,8-9H2,1-3H3,(H,16,19).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-1-(pyridin-4-ylmethyl)urea?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-1-(pyridin-4-ylmethyl)urea has a molecular weight of 274.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-1-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 47862151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).