5-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]-2-fluoro-N-methylbenzamide

C16H19FN4O3 — CID 95905887

IUPAC5-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)N[C@@H](C)c2c(C)noc2C)ccc1F
InChIInChI=1S/C16H19FN4O3/c1-8(14-9(2)21-24-10(14)3)19-16(23)20-11-5-6-13(17)12(7-11)15(22)18-4/h5-8H,1-4H3,(H,18,22)(H2,19,20,23)/t8-/m0/s1
InChIKeyICWVMEJKGJLGSW-QMMMGPOBSA-N
MW334.35 g/mol
LogP2.67
Rot. Bonds4

About 5-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]-2-fluoro-N-methylbenzamide

5-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]-2-fluoro-N-methylbenzamide (PubChem CID 95905887) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is 5-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]-2-fluoro-N-methylbenzamide
PubChem CID95905887
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name5-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)N[C@@H](C)c2c(C)noc2C)ccc1F
InChIInChI=1S/C16H19FN4O3/c1-8(14-9(2)21-24-10(14)3)19-16(23)20-11-5-6-13(17)12(7-11)15(22)18-4/h5-8H,1-4H3,(H,18,22)(H2,19,20,23)/t8-/m0/s1
InChIKeyICWVMEJKGJLGSW-QMMMGPOBSA-N
XLogP2.67
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-methyl-5-(1-phenylethylcarbamoylamino)benzamide
CID 49285531
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluoro-3-methylbenzamide
CID 78961178
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-fluoro-6-hydroxybenzamide
CID 86797727
N-[[3-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide
CID 95768857
1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 95768858
2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluorobenzamide
CID 78961269
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea
CID 71978904
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-sulfanylbenzamide
CID 107032001
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(ethylamino)benzamide
CID 79231664
2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-fluoropyridine-3-carboxamide
CID 103892535
4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]benzoic acid
CID 79230846

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]-2-fluoro-N-methylbenzamide?
The IUPAC name of 5-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]-2-fluoro-N-methylbenzamide (CID 95905887) is 5-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 5-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 5-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]-2-fluoro-N-methylbenzamide is CNC(=O)c1cc(NC(=O)N[C@@H](C)c2c(C)noc2C)ccc1F.
What is the InChIKey of 5-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]-2-fluoro-N-methylbenzamide?
The InChIKey is ICWVMEJKGJLGSW-QMMMGPOBSA-N. The full InChI is InChI=1S/C16H19FN4O3/c1-8(14-9(2)21-24-10(14)3)19-16(23)20-11-5-6-13(17)12(7-11)15(22)18-4/h5-8H,1-4H3,(H,18,22)(H2,19,20,23)/t8-/m0/s1.
What are the key properties of 5-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]-2-fluoro-N-methylbenzamide?
5-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]-2-fluoro-N-methylbenzamide has a molecular weight of 334.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 95905887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).