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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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).