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

C14H16FN3O2 — CID 47192595

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea
SMILESCc1noc(C)c1CN(C)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H16FN3O2/c1-9-13(10(2)20-17-9)8-18(3)14(19)16-12-6-4-5-11(15)7-12/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyUXEVBQSVZBPULC-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.09
Rot. Bonds3

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea (PubChem CID 47192595) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea
PubChem CID47192595
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea
SMILESCc1noc(C)c1CN(C)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H16FN3O2/c1-9-13(10(2)20-17-9)8-18(3)14(19)16-12-6-4-5-11(15)7-12/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyUXEVBQSVZBPULC-UHFFFAOYSA-N
XLogP3.09
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylurea
CID 94251751
1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439699
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 75459712
1-[(5-bromofuran-2-yl)methyl]-3-(3-fluorophenyl)-1-methylurea
CID 47192722
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylurea
CID 118764961
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-fluorophenyl)-3-methoxybenzamide
CID 26086460
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1H-indol-4-yl)-1-methylurea
CID 56825839
N-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55742389
N-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide
CID 87010607
1-ethyl-3-(3-fluorophenyl)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea
CID 39854669

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea (CID 47192595) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea is Cc1noc(C)c1CN(C)C(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea?
The InChIKey is UXEVBQSVZBPULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-9-13(10(2)20-17-9)8-18(3)14(19)16-12-6-4-5-11(15)7-12/h4-7H,8H2,1-3H3,(H,16,19).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea has a molecular weight of 277.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea is sourced from PubChem (CID 47192595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).