N-[6-(2-aminoanilino)-6-oxohexyl]-1,2-oxazole-5-carboxamide

C16H20N4O3 — CID 45137578

IUPACN-[6-(2-aminoanilino)-6-oxohexyl]-1,2-oxazole-5-carboxamide
SMILESNc1ccccc1NC(=O)CCCCCNC(=O)c1ccno1
InChIInChI=1S/C16H20N4O3/c17-12-6-3-4-7-13(12)20-15(21)8-2-1-5-10-18-16(22)14-9-11-19-23-14/h3-4,6-7,9,11H,1-2,5,8,10,17H2,(H,18,22)(H,20,21)
InChIKeyHOGOOOXGLFARMQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.19
Rot. Bonds8

About N-[6-(2-aminoanilino)-6-oxohexyl]-1,2-oxazole-5-carboxamide

N-[6-(2-aminoanilino)-6-oxohexyl]-1,2-oxazole-5-carboxamide (PubChem CID 45137578) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[6-(2-aminoanilino)-6-oxohexyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(2-aminoanilino)-6-oxohexyl]-1,2-oxazole-5-carboxamide
PubChem CID45137578
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[6-(2-aminoanilino)-6-oxohexyl]-1,2-oxazole-5-carboxamide
SMILESNc1ccccc1NC(=O)CCCCCNC(=O)c1ccno1
InChIInChI=1S/C16H20N4O3/c17-12-6-3-4-7-13(12)20-15(21)8-2-1-5-10-18-16(22)14-9-11-19-23-14/h3-4,6-7,9,11H,1-2,5,8,10,17H2,(H,18,22)(H,20,21)
InChIKeyHOGOOOXGLFARMQ-UHFFFAOYSA-N
XLogP2.19
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-((4-(4-methylpiperazin-1-yl)phenyl)methyl)-1,2-oxazole-5-carboxamide
CID 2738575
N-(2-methylphenyl)-1,2-oxazole-5-carboxamide
CID 7996638
N-(2-(piperidin-1-yl)phenyl)isoxazole-5-carboxamide
CID 11277266
Isoxazole-5-carboxylic acid [4-(4-methyl-3-oxo-3,4-dihydro-quinoxalin-2-ylamino)-phenyl]-amide
CID 11451272
Piperazine amide, 6f
CID 44236963
5-Isoxazoyl-Cha-Ile-4-aminophenyl-(4-[aminomethyl]piperidin-1-yl)ethan-2-one
CID 49788380
N-[(2S)-1-[(2-carbamoylphenyl)methylamino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 156016097
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 129626030
Isoxazole-5-carboxylic acid (cyclopentylcarbamoyl-phenyl-methyl)-phenyl-amide
CID 3210624
5-isoxazoyl-Cha-Ile-(3-aminophenyl)-(4-[aminomethyl]piperidin-1-yl)methanone
CID 49788440
N-[(2S)-1-(3-carbamoylanilino)-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 156009830
N-[(2S)-1-(2-carbamoylanilino)-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 156013443

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminoanilino)-6-oxohexyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[6-(2-aminoanilino)-6-oxohexyl]-1,2-oxazole-5-carboxamide (CID 45137578) is N-[6-(2-aminoanilino)-6-oxohexyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[6-(2-aminoanilino)-6-oxohexyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[6-(2-aminoanilino)-6-oxohexyl]-1,2-oxazole-5-carboxamide is Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccno1.
What is the InChIKey of N-[6-(2-aminoanilino)-6-oxohexyl]-1,2-oxazole-5-carboxamide?
The InChIKey is HOGOOOXGLFARMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c17-12-6-3-4-7-13(12)20-15(21)8-2-1-5-10-18-16(22)14-9-11-19-23-14/h3-4,6-7,9,11H,1-2,5,8,10,17H2,(H,18,22)(H,20,21).
What are the key properties of N-[6-(2-aminoanilino)-6-oxohexyl]-1,2-oxazole-5-carboxamide?
N-[6-(2-aminoanilino)-6-oxohexyl]-1,2-oxazole-5-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.19, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminoanilino)-6-oxohexyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 45137578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).