N-(1-cyanocyclopropyl)-2-[2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazol-5-yl]cyclohexane-1-carboxamide

C26H30N4O4 — CID 118010845

IUPACN-(1-cyanocyclopropyl)-2-[2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazol-5-yl]cyclohexane-1-carboxamide
SMILESCc1nc(-c2ccc(C(=O)N3CCOCC3)cc2)c(C2CCCCC2C(=O)NC2(C#N)CC2)o1
InChIInChI=1S/C26H30N4O4/c1-17-28-22(18-6-8-19(9-7-18)25(32)30-12-14-33-15-13-30)23(34-17)20-4-2-3-5-21(20)24(31)29-26(16-27)10-11-26/h6-9,20-21H,2-5,10-15H2,1H3,(H,29,31)
InChIKeyJNTGAYVZBQVFOV-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.57
Rot. Bonds5

About N-(1-cyanocyclopropyl)-2-[2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazol-5-yl]cyclohexane-1-carboxamide

N-(1-cyanocyclopropyl)-2-[2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazol-5-yl]cyclohexane-1-carboxamide (PubChem CID 118010845) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-2-[2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazol-5-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-2-[2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazol-5-yl]cyclohexane-1-carboxamide
PubChem CID118010845
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN-(1-cyanocyclopropyl)-2-[2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazol-5-yl]cyclohexane-1-carboxamide
SMILESCc1nc(-c2ccc(C(=O)N3CCOCC3)cc2)c(C2CCCCC2C(=O)NC2(C#N)CC2)o1
InChIInChI=1S/C26H30N4O4/c1-17-28-22(18-6-8-19(9-7-18)25(32)30-12-14-33-15-13-30)23(34-17)20-4-2-3-5-21(20)24(31)29-26(16-27)10-11-26/h6-9,20-21H,2-5,10-15H2,1H3,(H,29,31)
InChIKeyJNTGAYVZBQVFOV-UHFFFAOYSA-N
XLogP3.57
TPSA108.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[2-methyl-5-(4-morpholin-4-ylphenyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxamide
CID 118016946
N-(1-cyanocyclopropyl)-2-[4-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-(2,2,2-trifluoroethyl)-1,3-oxazol-5-yl]cyclohexane-1-carboxamide
CID 123349177
N-(1-cyanocyclopropyl)-2-[4-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]cyclohexane-1-carboxamide
CID 118011237
N-(1-cyanocyclopropyl)-2-[2-(2,4-difluorophenyl)-4-[4-(3-methylsulfonylazetidin-1-yl)phenyl]-1,3-oxazol-5-yl]cyclohexane-1-carboxamide
CID 118010983
N-(1-cyanocyclopropyl)-3,3-difluorocyclohexane-1-carboxamide;morpholin-4-yl-[4-[2-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazol-4-yl]phenyl]methanone
CID 144828324
N-(cyanomethyl)-2-[2-methyl-5-[4-(morpholine-4-carbonyl)phenyl]-1,3-thiazol-4-yl]cyclohexane-1-carboxamide
CID 118009240
1-[2-[(1R,2R)-5,5-difluoro-2-[2-(4-fluorophenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazol-5-yl]cyclohexyl]-2-oxoethyl]cyclopropane-1-carbonitrile
CID 153024773
N-(1-cyanocyclopropyl)-2-[5-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[(3R)-oxolan-3-yl]-1,3-thiazol-4-yl]cyclohexane-1-carboxamide
CID 140735284
N-(1-cyanocyclopropyl)-2-[5-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[4-(oxan-4-yl)phenyl]-1,3-thiazol-4-yl]cyclohexane-1-carboxamide
CID 123204545
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[2-(2-cyano-4-methylphenyl)-5-[4-(1,1-dihydroxy-1,4-thiazinan-4-yl)phenyl]-1,3-thiazol-4-yl]cyclohexane-1-carboxamide
CID 118009025
trans-(1R,2R)-N-(1-cyanocyclopropyl)-5,5-difluoro-2-[2-(4-fluorophenyl)-5-[4-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]-1,3-thiazol-4-yl]cyclohexane-1-carboxamide
CID 118009470
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[5-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]cyclohexane-1-carboxamide
CID 126602956

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-2-[2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazol-5-yl]cyclohexane-1-carboxamide?
The IUPAC name of N-(1-cyanocyclopropyl)-2-[2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazol-5-yl]cyclohexane-1-carboxamide (CID 118010845) is N-(1-cyanocyclopropyl)-2-[2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazol-5-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)-2-[2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazol-5-yl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(1-cyanocyclopropyl)-2-[2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazol-5-yl]cyclohexane-1-carboxamide is Cc1nc(-c2ccc(C(=O)N3CCOCC3)cc2)c(C2CCCCC2C(=O)NC2(C#N)CC2)o1.
What is the InChIKey of N-(1-cyanocyclopropyl)-2-[2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazol-5-yl]cyclohexane-1-carboxamide?
The InChIKey is JNTGAYVZBQVFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-17-28-22(18-6-8-19(9-7-18)25(32)30-12-14-33-15-13-30)23(34-17)20-4-2-3-5-21(20)24(31)29-26(16-27)10-11-26/h6-9,20-21H,2-5,10-15H2,1H3,(H,29,31).
What are the key properties of N-(1-cyanocyclopropyl)-2-[2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazol-5-yl]cyclohexane-1-carboxamide?
N-(1-cyanocyclopropyl)-2-[2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazol-5-yl]cyclohexane-1-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-2-[2-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazol-5-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 118010845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).