N-(1-aminohexan-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C17H21Cl2N3O2 — CID 119665884

IUPACN-(1-aminohexan-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCCCC(CN)NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C
InChIInChI=1S/C17H21Cl2N3O2/c1-3-4-6-11(9-20)21-17(23)14-10(2)24-22-16(14)15-12(18)7-5-8-13(15)19/h5,7-8,11H,3-4,6,9,20H2,1-2H3,(H,21,23)
InChIKeyVYBRTGHLGKFBOU-UHFFFAOYSA-N
MW370.28 g/mol
LogP4.20
Rot. Bonds7

About N-(1-aminohexan-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-(1-aminohexan-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 119665884) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID119665884
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC NameN-(1-aminohexan-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCCCC(CN)NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C
InChIInChI=1S/C17H21Cl2N3O2/c1-3-4-6-11(9-20)21-17(23)14-10(2)24-22-16(14)15-12(18)7-5-8-13(15)19/h5,7-8,11H,3-4,6,9,20H2,1-2H3,(H,21,23)
InChIKeyVYBRTGHLGKFBOU-UHFFFAOYSA-N
XLogP4.20
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 119665884) is N-(1-aminohexan-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is CCCCC(CN)NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is VYBRTGHLGKFBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O2/c1-3-4-6-11(9-20)21-17(23)14-10(2)24-22-16(14)15-12(18)7-5-8-13(15)19/h5,7-8,11H,3-4,6,9,20H2,1-2H3,(H,21,23).
What are the key properties of N-(1-aminohexan-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(1-aminohexan-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 370.28 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 119665884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).