N-(3-chloro-4-methylphenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide

C22H20ClN3O4 — CID 53122870

IUPACN-(3-chloro-4-methylphenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2ncoc2-c2ccccc2C(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C22H20ClN3O4/c1-14-6-7-15(12-18(14)23)25-21(27)19-20(30-13-24-19)16-4-2-3-5-17(16)22(28)26-8-10-29-11-9-26/h2-7,12-13H,8-11H2,1H3,(H,25,27)
InChIKeyCXEJVVYUKYFQQP-UHFFFAOYSA-N
MW425.87 g/mol
LogP4.03
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide

N-(3-chloro-4-methylphenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 53122870) has the molecular formula C22H20ClN3O4 and a molecular weight of 425.87 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID53122870
Molecular FormulaC22H20ClN3O4
Molecular Weight425.87 g/mol
Exact Mass425.11
IUPAC NameN-(3-chloro-4-methylphenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2ncoc2-c2ccccc2C(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C22H20ClN3O4/c1-14-6-7-15(12-18(14)23)25-21(27)19-20(30-13-24-19)16-4-2-3-5-17(16)22(28)26-8-10-29-11-9-26/h2-7,12-13H,8-11H2,1H3,(H,25,27)
InChIKeyCXEJVVYUKYFQQP-UHFFFAOYSA-N
XLogP4.03
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.87
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 53122853
piperidin-1-yl-[2-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122822
[2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 53031921
N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 47063347
[5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184666
N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943529
1-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-6-oxopyridine-3-carboxamide
CID 136537487
[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365603
5-(2-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 126468353
N-(3-chloro-4-methylphenyl)-4-(4-formylpiperazine-1-carbonyl)benzamide
CID 109046404
4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 27258307
5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 53122998

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide (CID 53122870) is N-(3-chloro-4-methylphenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2ncoc2-c2ccccc2C(=O)N2CCOCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is CXEJVVYUKYFQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4/c1-14-6-7-15(12-18(14)23)25-21(27)19-20(30-13-24-19)16-4-2-3-5-17(16)22(28)26-8-10-29-11-9-26/h2-7,12-13H,8-11H2,1H3,(H,25,27).
What are the key properties of N-(3-chloro-4-methylphenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
N-(3-chloro-4-methylphenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 425.87 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53122870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).