N-(4-chlorophenyl)-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide

C15H17ClN4O3 — CID 2441171

IUPACN-(4-chlorophenyl)-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide
SMILESCc1cc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2)no1
InChIInChI=1S/C15H17ClN4O3/c1-10-7-13(19-23-10)18-15(22)9-20(2)8-14(21)17-12-5-3-11(16)4-6-12/h3-7H,8-9H2,1-2H3,(H,17,21)(H,18,19,22)
InChIKeyZXNDVBFFCQCTEX-UHFFFAOYSA-N
MW336.78 g/mol
LogP2.15
Rot. Bonds6

About N-(4-chlorophenyl)-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide

N-(4-chlorophenyl)-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide (PubChem CID 2441171) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide
PubChem CID2441171
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC NameN-(4-chlorophenyl)-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide
SMILESCc1cc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2)no1
InChIInChI=1S/C15H17ClN4O3/c1-10-7-13(19-23-10)18-15(22)9-20(2)8-14(21)17-12-5-3-11(16)4-6-12/h3-7H,8-9H2,1-2H3,(H,17,21)(H,18,19,22)
InChIKeyZXNDVBFFCQCTEX-UHFFFAOYSA-N
XLogP2.15
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide (CID 2441171) is N-(4-chlorophenyl)-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide is Cc1cc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2)no1.
What is the InChIKey of N-(4-chlorophenyl)-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide?
The InChIKey is ZXNDVBFFCQCTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3/c1-10-7-13(19-23-10)18-15(22)9-20(2)8-14(21)17-12-5-3-11(16)4-6-12/h3-7H,8-9H2,1-2H3,(H,17,21)(H,18,19,22).
What are the key properties of N-(4-chlorophenyl)-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide?
N-(4-chlorophenyl)-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide has a molecular weight of 336.78 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 2441171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).