N-(3-chloro-4-cyanophenyl)-3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]propanamide

C17H18ClN5O3 — CID 55482165

IUPACN-(3-chloro-4-cyanophenyl)-3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]propanamide
SMILESCc1cc(NC(=O)CN(C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)no1
InChIInChI=1S/C17H18ClN5O3/c1-11-7-15(22-26-11)21-17(25)10-23(2)6-5-16(24)20-13-4-3-12(9-19)14(18)8-13/h3-4,7-8H,5-6,10H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyNDKWATZSZGKRDF-UHFFFAOYSA-N
MW375.82 g/mol
LogP2.41
Rot. Bonds7

About N-(3-chloro-4-cyanophenyl)-3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]propanamide

N-(3-chloro-4-cyanophenyl)-3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]propanamide (PubChem CID 55482165) has the molecular formula C17H18ClN5O3 and a molecular weight of 375.82 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]propanamide
PubChem CID55482165
Molecular FormulaC17H18ClN5O3
Molecular Weight375.82 g/mol
Exact Mass375.11
IUPAC NameN-(3-chloro-4-cyanophenyl)-3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]propanamide
SMILESCc1cc(NC(=O)CN(C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)no1
InChIInChI=1S/C17H18ClN5O3/c1-11-7-15(22-26-11)21-17(25)10-23(2)6-5-16(24)20-13-4-3-12(9-19)14(18)8-13/h3-4,7-8H,5-6,10H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyNDKWATZSZGKRDF-UHFFFAOYSA-N
XLogP2.41
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
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N-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042633
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]propanamide
CID 55482164
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-phenylacetamide
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CID 18191756
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CID 108955334
N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108956954
2-[butyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide
CID 60689275
N-(3-chloro-4-cyanophenyl)-2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]propanamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]propanamide (CID 55482165) is N-(3-chloro-4-cyanophenyl)-3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]propanamide is Cc1cc(NC(=O)CN(C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)no1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]propanamide?
The InChIKey is NDKWATZSZGKRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O3/c1-11-7-15(22-26-11)21-17(25)10-23(2)6-5-16(24)20-13-4-3-12(9-19)14(18)8-13/h3-4,7-8H,5-6,10H2,1-2H3,(H,20,24)(H,21,22,25).
What are the key properties of N-(3-chloro-4-cyanophenyl)-3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]propanamide?
N-(3-chloro-4-cyanophenyl)-3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]propanamide has a molecular weight of 375.82 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 55482165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).