N-[2-(cyclohexylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide

C26H29N3O5 — CID 3207863

IUPACN-[2-(cyclohexylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide
SMILESCOc1cc(OC)cc(C(C(=O)NC2CCCCC2)N(C(=O)c2ccno2)c2ccccc2)c1
InChIInChI=1S/C26H29N3O5/c1-32-21-15-18(16-22(17-21)33-2)24(25(30)28-19-9-5-3-6-10-19)29(20-11-7-4-8-12-20)26(31)23-13-14-27-34-23/h4,7-8,11-17,19,24H,3,5-6,9-10H2,1-2H3,(H,28,30)
InChIKeyIKUQIIKTGUWJDM-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.53
Rot. Bonds8

About N-[2-(cyclohexylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide

N-[2-(cyclohexylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 3207863) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide
PubChem CID3207863
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC NameN-[2-(cyclohexylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide
SMILESCOc1cc(OC)cc(C(C(=O)NC2CCCCC2)N(C(=O)c2ccno2)c2ccccc2)c1
InChIInChI=1S/C26H29N3O5/c1-32-21-15-18(16-22(17-21)33-2)24(25(30)28-19-9-5-3-6-10-19)29(20-11-7-4-8-12-20)26(31)23-13-14-27-34-23/h4,7-8,11-17,19,24H,3,5-6,9-10H2,1-2H3,(H,28,30)
InChIKeyIKUQIIKTGUWJDM-UHFFFAOYSA-N
XLogP4.53
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(cyclohexylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56639666
[4-(3,5-Dimethoxyphenyl)piperazin-1-yl]-[4-(3-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone
CID 71511568
[4-(3,5-Dimethoxyphenyl)piperazin-1-yl]-(3-methyl-4-phenyl-1,2-oxazol-5-yl)methanone
CID 72736710
[4-(3,5-Dimethoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone
CID 72736711
[4-(3,5-Dimethoxyphenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]methanone
CID 72736712
N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-1,2-oxazole-5-carboxamide
CID 121316758
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-1,2-oxazole-5-carboxamide
CID 140781127
N-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]-1,2-oxazole-5-carboxamide
CID 16745795
Isoxazole-5-carboxylic acid [benzylcarbamoyl-(3,5-dimethoxy-phenyl)-methyl]-furan-2-ylmethyl-amide
CID 649106
3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 16018406
3-Benzyl-4-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one
CID 24792937
5-[(3-methoxyphenoxy)methyl]-N-[2-(3-methoxyphenyl)ethyl]-3-isoxazolecarboxamide
CID 26398817

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide (CID 3207863) is N-[2-(cyclohexylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide is COc1cc(OC)cc(C(C(=O)NC2CCCCC2)N(C(=O)c2ccno2)c2ccccc2)c1.
What is the InChIKey of N-[2-(cyclohexylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is IKUQIIKTGUWJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-32-21-15-18(16-22(17-21)33-2)24(25(30)28-19-9-5-3-6-10-19)29(20-11-7-4-8-12-20)26(31)23-13-14-27-34-23/h4,7-8,11-17,19,24H,3,5-6,9-10H2,1-2H3,(H,28,30).
What are the key properties of N-[2-(cyclohexylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide?
N-[2-(cyclohexylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 463.53 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3207863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).