[2-[4-cyano-3-[(3-phenyl-1,2-oxazol-5-yl)amino]anilino]cyclohexyl]carbamic acid

C23H23N5O3 — CID 67773613

IUPAC[2-[4-cyano-3-[(3-phenyl-1,2-oxazol-5-yl)amino]anilino]cyclohexyl]carbamic acid
SMILESN#Cc1ccc(NC2CCCCC2NC(=O)O)cc1Nc1cc(-c2ccccc2)no1
InChIInChI=1S/C23H23N5O3/c24-14-16-10-11-17(25-18-8-4-5-9-19(18)27-23(29)30)12-20(16)26-22-13-21(28-31-22)15-6-2-1-3-7-15/h1-3,6-7,10-13,18-19,25-27H,4-5,8-9H2,(H,29,30)
InChIKeyYAHSDLZSEOGTSV-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.95
Rot. Bonds6

About [2-[4-cyano-3-[(3-phenyl-1,2-oxazol-5-yl)amino]anilino]cyclohexyl]carbamic acid

[2-[4-cyano-3-[(3-phenyl-1,2-oxazol-5-yl)amino]anilino]cyclohexyl]carbamic acid (PubChem CID 67773613) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is [2-[4-cyano-3-[(3-phenyl-1,2-oxazol-5-yl)amino]anilino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[2-[4-cyano-3-[(3-phenyl-1,2-oxazol-5-yl)amino]anilino]cyclohexyl]carbamic acid
PubChem CID67773613
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name[2-[4-cyano-3-[(3-phenyl-1,2-oxazol-5-yl)amino]anilino]cyclohexyl]carbamic acid
SMILESN#Cc1ccc(NC2CCCCC2NC(=O)O)cc1Nc1cc(-c2ccccc2)no1
InChIInChI=1S/C23H23N5O3/c24-14-16-10-11-17(25-18-8-4-5-9-19(18)27-23(29)30)12-20(16)26-22-13-21(28-31-22)15-6-2-1-3-7-15/h1-3,6-7,10-13,18-19,25-27H,4-5,8-9H2,(H,29,30)
InChIKeyYAHSDLZSEOGTSV-UHFFFAOYSA-N
XLogP4.95
TPSA123.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

[(1S,2R)-2-[4-cyano-3-(4-fluoroanilino)anilino]cyclohexyl]carbamic acid
CID 67775635
[(1S,2R)-2-[4-cyano-3-(3,5-dimethylanilino)anilino]cyclohexyl]carbamic acid
CID 67772820
(2S)-N-(3-phenyl-1,2-oxazol-5-yl)piperidine-2-carboxamide
CID 58564068
2-(5-bromo-2-cyanoanilino)cyclopentane-1-carboxylic acid
CID 114901056
2-chloro-4-[(2-hydroxycyclohexyl)amino]benzonitrile
CID 60883762
[(1S,2R)-2-[[5-[(4-chloro-6-methyl-2-pyridinyl)amino]-6-cyano-3-pyridinyl]amino]cyclohexyl]carbamic acid
CID 90354468
4-anilino-5-(3-phenyl-1,2-oxazole-5-carbonyl)-2-(pyrrolidin-3-ylamino)thiophene-3-carbonitrile
CID 68808851
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]pyridine-2-carboxamide
CID 72709837
2-(2-cyanoanilino)cyclobutane-1-carboxylic acid
CID 103234319
3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole
CID 10242348
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-naphthalen-2-ylpropanamide
CID 23833065
2-[(3-methyl-1,2-thiazol-5-yl)amino]-4-[[(3R)-2-oxoazepan-3-yl]amino]benzonitrile
CID 129386263

Frequently Asked Questions

What is the IUPAC name of [2-[4-cyano-3-[(3-phenyl-1,2-oxazol-5-yl)amino]anilino]cyclohexyl]carbamic acid?
The IUPAC name of [2-[4-cyano-3-[(3-phenyl-1,2-oxazol-5-yl)amino]anilino]cyclohexyl]carbamic acid (CID 67773613) is [2-[4-cyano-3-[(3-phenyl-1,2-oxazol-5-yl)amino]anilino]cyclohexyl]carbamic acid.
What is the SMILES notation for [2-[4-cyano-3-[(3-phenyl-1,2-oxazol-5-yl)amino]anilino]cyclohexyl]carbamic acid?
The canonical SMILES for [2-[4-cyano-3-[(3-phenyl-1,2-oxazol-5-yl)amino]anilino]cyclohexyl]carbamic acid is N#Cc1ccc(NC2CCCCC2NC(=O)O)cc1Nc1cc(-c2ccccc2)no1.
What is the InChIKey of [2-[4-cyano-3-[(3-phenyl-1,2-oxazol-5-yl)amino]anilino]cyclohexyl]carbamic acid?
The InChIKey is YAHSDLZSEOGTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c24-14-16-10-11-17(25-18-8-4-5-9-19(18)27-23(29)30)12-20(16)26-22-13-21(28-31-22)15-6-2-1-3-7-15/h1-3,6-7,10-13,18-19,25-27H,4-5,8-9H2,(H,29,30).
What are the key properties of [2-[4-cyano-3-[(3-phenyl-1,2-oxazol-5-yl)amino]anilino]cyclohexyl]carbamic acid?
[2-[4-cyano-3-[(3-phenyl-1,2-oxazol-5-yl)amino]anilino]cyclohexyl]carbamic acid has a molecular weight of 417.47 g/mol, XLogP of 4.95, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-cyano-3-[(3-phenyl-1,2-oxazol-5-yl)amino]anilino]cyclohexyl]carbamic acid is sourced from PubChem (CID 67773613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).