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

C17H16N4O2 — CID 154857483

IUPAC1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea
SMILESCc1cc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)on1
InChIInChI=1S/C17H16N4O2/c1-12-10-16(23-21-12)20-17(22)19-15-4-2-13(3-5-15)11-14-6-8-18-9-7-14/h2-10H,11H2,1H3,(H2,19,20,22)
InChIKeyXSWBYFYLFGGSTQ-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.61
Rot. Bonds4

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

1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea (PubChem CID 154857483) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea
PubChem CID154857483
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea
SMILESCc1cc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)on1
InChIInChI=1S/C17H16N4O2/c1-12-10-16(23-21-12)20-17(22)19-15-4-2-13(3-5-15)11-14-6-8-18-9-7-14/h2-10H,11H2,1H3,(H2,19,20,22)
InChIKeyXSWBYFYLFGGSTQ-UHFFFAOYSA-N
XLogP3.61
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyl-1,2-oxazol-5-yl)-3-(4-phenylmethoxyphenyl)urea
CID 59381123
1-[3-(1-aminoethyl)phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 61340542
N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 47102790
1-[4-(pyridin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 10248635
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-ethylphenyl)urea
CID 143052561
2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 2995900
ethane;1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(4-methylphenyl)methyl]phenyl]urea;molecular hydrogen
CID 143052396
2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 110460952
4-(bromomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 102850771
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 61148539
1-(furan-3-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 154857494
1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 167772547

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea?
The IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea (CID 154857483) is 1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea?
The canonical SMILES for 1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea is Cc1cc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)on1.
What is the InChIKey of 1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea?
The InChIKey is XSWBYFYLFGGSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-10-16(23-21-12)20-17(22)19-15-4-2-13(3-5-15)11-14-6-8-18-9-7-14/h2-10H,11H2,1H3,(H2,19,20,22).
What are the key properties of 1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea?
1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea has a molecular weight of 308.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea is sourced from PubChem (CID 154857483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).