4-chloro-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamoyl]amino]-N-propan-2-ylbenzamide

C17H21ClN4O3 — CID 118777637

IUPAC4-chloro-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamoyl]amino]-N-propan-2-ylbenzamide
SMILESCc1cc(CN(C)C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)on1
InChIInChI=1S/C17H21ClN4O3/c1-10(2)19-16(23)12-5-6-14(18)15(8-12)20-17(24)22(4)9-13-7-11(3)21-25-13/h5-8,10H,9H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyJWHBWAJMFFAHME-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.44
Rot. Bonds5

About 4-chloro-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamoyl]amino]-N-propan-2-ylbenzamide

4-chloro-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamoyl]amino]-N-propan-2-ylbenzamide (PubChem CID 118777637) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is 4-chloro-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamoyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamoyl]amino]-N-propan-2-ylbenzamide
PubChem CID118777637
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC Name4-chloro-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamoyl]amino]-N-propan-2-ylbenzamide
SMILESCc1cc(CN(C)C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)on1
InChIInChI=1S/C17H21ClN4O3/c1-10(2)19-16(23)12-5-6-14(18)15(8-12)20-17(24)22(4)9-13-7-11(3)21-25-13/h5-8,10H,9H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyJWHBWAJMFFAHME-UHFFFAOYSA-N
XLogP3.44
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-6-methylpyridine-2-carboxamide
CID 60532137
4-chloro-3-[1-(6-methyl-3-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylbenzamide
CID 74251520
4-chloro-3-[3-(3,5-dimethylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 52662482
4-chloro-3-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 47049795
4-chloro-3-[(4-methylsulfanylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 87026803
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 53017094
4-chloro-3-[[methyl-[[(2R)-oxan-2-yl]methyl]carbamoyl]amino]-N-propylbenzamide
CID 97444592
4-chloro-3-[(1,4-dimethylpyrazol-5-yl)methylamino]-N-propan-2-ylbenzamide
CID 154781979
methyl 2-[(2,5-dichlorophenyl)carbamoyl-methylamino]acetate
CID 43624007
6-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-2H-chromene-3-carboxamide
CID 60532279
4-chloro-3-(4-phenylbutanoylamino)-N-propan-2-ylbenzamide
CID 60532091
N-[(2R)-1-methoxypropan-2-yl]-3-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]sulfamoyl]benzamide
CID 97282836

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamoyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamoyl]amino]-N-propan-2-ylbenzamide (CID 118777637) is 4-chloro-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamoyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamoyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamoyl]amino]-N-propan-2-ylbenzamide is Cc1cc(CN(C)C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)on1.
What is the InChIKey of 4-chloro-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamoyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is JWHBWAJMFFAHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3/c1-10(2)19-16(23)12-5-6-14(18)15(8-12)20-17(24)22(4)9-13-7-11(3)21-25-13/h5-8,10H,9H2,1-4H3,(H,19,23)(H,20,24).
What are the key properties of 4-chloro-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamoyl]amino]-N-propan-2-ylbenzamide?
4-chloro-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamoyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 364.83 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamoyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 118777637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).