N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(propan-2-ylcarbamoylamino)benzamide

C22H24N4O3 — CID 56544885

IUPACN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCCc1ccc(-c2cc(NC(=O)c3cccc(NC(=O)NC(C)C)c3)on2)cc1
InChIInChI=1S/C22H24N4O3/c1-4-15-8-10-16(11-9-15)19-13-20(29-26-19)25-21(27)17-6-5-7-18(12-17)24-22(28)23-14(2)3/h5-14H,4H2,1-3H3,(H,25,27)(H2,23,24,28)
InChIKeyIRZXXMPFUVYFRY-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.69
Rot. Bonds6

About N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(propan-2-ylcarbamoylamino)benzamide

N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 56544885) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID56544885
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCCc1ccc(-c2cc(NC(=O)c3cccc(NC(=O)NC(C)C)c3)on2)cc1
InChIInChI=1S/C22H24N4O3/c1-4-15-8-10-16(11-9-15)19-13-20(29-26-19)25-21(27)17-6-5-7-18(12-17)24-22(28)23-14(2)3/h5-14H,4H2,1-3H3,(H,25,27)(H2,23,24,28)
InChIKeyIRZXXMPFUVYFRY-UHFFFAOYSA-N
XLogP4.69
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56544955
3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56530069
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 56529971
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 56529969
4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56529985
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
4-amino-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-nitrobenzamide
CID 56544763
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55649885
methyl 2-[4-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]carbamoyl]-2-methoxyphenoxy]acetate
CID 56570036
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 56569903
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide
CID 56569806

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(propan-2-ylcarbamoylamino)benzamide (CID 56544885) is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(propan-2-ylcarbamoylamino)benzamide is CCc1ccc(-c2cc(NC(=O)c3cccc(NC(=O)NC(C)C)c3)on2)cc1.
What is the InChIKey of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is IRZXXMPFUVYFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-4-15-8-10-16(11-9-15)19-13-20(29-26-19)25-21(27)17-6-5-7-18(12-17)24-22(28)23-14(2)3/h5-14H,4H2,1-3H3,(H,25,27)(H2,23,24,28).
What are the key properties of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(propan-2-ylcarbamoylamino)benzamide?
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 392.46 g/mol, XLogP of 4.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 56544885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).