N-(cyclopropylmethyl)-3,5-difluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide

C16H15F2N3O3 — CID 808496

IUPACN-(cyclopropylmethyl)-3,5-difluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
SMILESO=C(CN(CC1CC1)C(=O)c1cc(F)cc(F)c1)Nc1ccon1
InChIInChI=1S/C16H15F2N3O3/c17-12-5-11(6-13(18)7-12)16(23)21(8-10-1-2-10)9-15(22)19-14-3-4-24-20-14/h3-7,10H,1-2,8-9H2,(H,19,20,22)
InChIKeyXIAFANISTQEOLF-UHFFFAOYSA-N
MW335.31 g/mol
LogP2.44
Rot. Bonds6

About N-(cyclopropylmethyl)-3,5-difluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide

N-(cyclopropylmethyl)-3,5-difluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide (PubChem CID 808496) has the molecular formula C16H15F2N3O3 and a molecular weight of 335.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3,5-difluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3,5-difluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
PubChem CID808496
Molecular FormulaC16H15F2N3O3
Molecular Weight335.31 g/mol
Exact Mass335.11
IUPAC NameN-(cyclopropylmethyl)-3,5-difluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
SMILESO=C(CN(CC1CC1)C(=O)c1cc(F)cc(F)c1)Nc1ccon1
InChIInChI=1S/C16H15F2N3O3/c17-12-5-11(6-13(18)7-12)16(23)21(8-10-1-2-10)9-15(22)19-14-3-4-24-20-14/h3-7,10H,1-2,8-9H2,(H,19,20,22)
InChIKeyXIAFANISTQEOLF-UHFFFAOYSA-N
XLogP2.44
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3957598
2-[cyclopropylmethyl(dimethylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 814669
2-[cyclohexylmethyl(ethylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 5054889
3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylbenzamide
CID 813670
N-[2-(dimethylamino)ethyl]-3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 42771590
2-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 4230560
2-chloro-N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 42771670
N-(cyclohexylmethyl)-4-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770363
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 7327164
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 42771686
N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 3517609
2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7218439

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3,5-difluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-3,5-difluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide (CID 808496) is N-(cyclopropylmethyl)-3,5-difluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3,5-difluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3,5-difluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide is O=C(CN(CC1CC1)C(=O)c1cc(F)cc(F)c1)Nc1ccon1.
What is the InChIKey of N-(cyclopropylmethyl)-3,5-difluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The InChIKey is XIAFANISTQEOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O3/c17-12-5-11(6-13(18)7-12)16(23)21(8-10-1-2-10)9-15(22)19-14-3-4-24-20-14/h3-7,10H,1-2,8-9H2,(H,19,20,22).
What are the key properties of N-(cyclopropylmethyl)-3,5-difluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
N-(cyclopropylmethyl)-3,5-difluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide has a molecular weight of 335.31 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3,5-difluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 808496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).