3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide

C21H21ClN4O3 — CID 30771703

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C21H21ClN4O3/c22-17-4-2-1-3-16(17)18-14-24-21(29-18)8-7-20(27)25-15-5-6-19(23-13-15)26-9-11-28-12-10-26/h1-6,13-14H,7-12H2,(H,25,27)
InChIKeyFQMRFZMNFHMLAM-UHFFFAOYSA-N
MW412.88 g/mol
LogP3.80
Rot. Bonds6

About 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide (PubChem CID 30771703) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
PubChem CID30771703
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C21H21ClN4O3/c22-17-4-2-1-3-16(17)18-14-24-21(29-18)8-7-20(27)25-15-5-6-19(23-13-15)26-9-11-28-12-10-26/h1-6,13-14H,7-12H2,(H,25,27)
InChIKeyFQMRFZMNFHMLAM-UHFFFAOYSA-N
XLogP3.80
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 24612254
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 55487024
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 16583617
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 134011139
N-(6-morpholin-4-yl-3-pyridinyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43041424
2-(2,6-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 30770460
4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 24592654
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-chloro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
CID 36949984
2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17453496
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 24601143

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide (CID 30771703) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide is O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide?
The InChIKey is FQMRFZMNFHMLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c22-17-4-2-1-3-16(17)18-14-24-21(29-18)8-7-20(27)25-15-5-6-19(23-13-15)26-9-11-28-12-10-26/h1-6,13-14H,7-12H2,(H,25,27).
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide has a molecular weight of 412.88 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 30771703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).