N,N-dicyclohexyl-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,2-oxazole-3-carboxamide

C26H35N3O4 — CID 57336472

IUPACN,N-dicyclohexyl-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,2-oxazole-3-carboxamide
SMILESCN(C)C(=O)COc1ccc(-c2cc(C(=O)N(C3CCCCC3)C3CCCCC3)no2)cc1
InChIInChI=1S/C26H35N3O4/c1-28(2)25(30)18-32-22-15-13-19(14-16-22)24-17-23(27-33-24)26(31)29(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h13-17,20-21H,3-12,18H2,1-2H3
InChIKeyZLZGGOXSTWEWLY-UHFFFAOYSA-N
MW453.58 g/mol
LogP4.92
Rot. Bonds7

About N,N-dicyclohexyl-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,2-oxazole-3-carboxamide

N,N-dicyclohexyl-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 57336472) has the molecular formula C26H35N3O4 and a molecular weight of 453.58 g/mol. Its IUPAC name is N,N-dicyclohexyl-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,2-oxazole-3-carboxamide
PubChem CID57336472
Molecular FormulaC26H35N3O4
Molecular Weight453.58 g/mol
Exact Mass453.26
IUPAC NameN,N-dicyclohexyl-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,2-oxazole-3-carboxamide
SMILESCN(C)C(=O)COc1ccc(-c2cc(C(=O)N(C3CCCCC3)C3CCCCC3)no2)cc1
InChIInChI=1S/C26H35N3O4/c1-28(2)25(30)18-32-22-15-13-19(14-16-22)24-17-23(27-33-24)26(31)29(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h13-17,20-21H,3-12,18H2,1-2H3
InChIKeyZLZGGOXSTWEWLY-UHFFFAOYSA-N
XLogP4.92
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N,N-dicyclohexyl-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,2-oxazole-3-carboxamide (CID 57336472) is N,N-dicyclohexyl-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N,N-dicyclohexyl-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N,N-dicyclohexyl-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,2-oxazole-3-carboxamide is CN(C)C(=O)COc1ccc(-c2cc(C(=O)N(C3CCCCC3)C3CCCCC3)no2)cc1.
What is the InChIKey of N,N-dicyclohexyl-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZLZGGOXSTWEWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4/c1-28(2)25(30)18-32-22-15-13-19(14-16-22)24-17-23(27-33-24)26(31)29(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h13-17,20-21H,3-12,18H2,1-2H3.
What are the key properties of N,N-dicyclohexyl-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,2-oxazole-3-carboxamide?
N,N-dicyclohexyl-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 453.58 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 57336472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).