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

C17H22N4O3 — CID 86822427

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propan-2-ylcarbamoylamino)benzamide
SMILESCc1nc(CNC(=O)c2ccccc2NC(=O)NC(C)C)oc1C
InChIInChI=1S/C17H22N4O3/c1-10(2)19-17(23)21-14-8-6-5-7-13(14)16(22)18-9-15-20-11(3)12(4)24-15/h5-8,10H,9H2,1-4H3,(H,18,22)(H2,19,21,23)
InChIKeyHGLQVOMEVMEHLP-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.75
Rot. Bonds5

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 86822427) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propan-2-ylcarbamoylamino)benzamide
PubChem CID86822427
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propan-2-ylcarbamoylamino)benzamide
SMILESCc1nc(CNC(=O)c2ccccc2NC(=O)NC(C)C)oc1C
InChIInChI=1S/C17H22N4O3/c1-10(2)19-17(23)21-14-8-6-5-7-13(14)16(22)18-9-15-20-11(3)12(4)24-15/h5-8,10H,9H2,1-4H3,(H,18,22)(H2,19,21,23)
InChIKeyHGLQVOMEVMEHLP-UHFFFAOYSA-N
XLogP2.75
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(propan-2-ylcarbamoylamino)benzamide
CID 46585555
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 134052140
1-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylurea
CID 110666422
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47345240
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide
CID 106368813
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1H-indole-4-carboxamide
CID 103721276
N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 51216735
1-(2-acetylphenyl)-3-propan-2-ylurea
CID 28738066
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103890358
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75517881
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(2S,4S)-4-hydroxy-4-phenylbutan-2-yl]urea
CID 97224444
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]urea
CID 97224446

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propan-2-ylcarbamoylamino)benzamide (CID 86822427) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propan-2-ylcarbamoylamino)benzamide is Cc1nc(CNC(=O)c2ccccc2NC(=O)NC(C)C)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is HGLQVOMEVMEHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10(2)19-17(23)21-14-8-6-5-7-13(14)16(22)18-9-15-20-11(3)12(4)24-15/h5-8,10H,9H2,1-4H3,(H,18,22)(H2,19,21,23).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propan-2-ylcarbamoylamino)benzamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 330.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 86822427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).