[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-pyrrolidin-1-ylmethanone

C21H20ClN3O2 — CID 134020114

IUPAC[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(NCc2ncc(-c3ccc(Cl)cc3)o2)cc1)N1CCCC1
InChIInChI=1S/C21H20ClN3O2/c22-17-7-3-15(4-8-17)19-13-24-20(27-19)14-23-18-9-5-16(6-10-18)21(26)25-11-1-2-12-25/h3-10,13,23H,1-2,11-12,14H2
InChIKeyLDXCEWWVHXWJAO-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.84
Rot. Bonds5

About [4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-pyrrolidin-1-ylmethanone

[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 134020114) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is [4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID134020114
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(NCc2ncc(-c3ccc(Cl)cc3)o2)cc1)N1CCCC1
InChIInChI=1S/C21H20ClN3O2/c22-17-7-3-15(4-8-17)19-13-24-20(27-19)14-23-18-9-5-16(6-10-18)21(26)25-11-1-2-12-25/h3-10,13,23H,1-2,11-12,14H2
InChIKeyLDXCEWWVHXWJAO-UHFFFAOYSA-N
XLogP4.84
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-piperidin-1-ylmethanone
CID 168582571
2-(4-chloroanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54810281
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112807624
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide
CID 55890052
[6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 1441202
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid
CID 43468615
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 100760010
1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888753
2-(4-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17173032
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119396415
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 46434985
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-pyrrolidin-1-ylmethanone (CID 134020114) is [4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(NCc2ncc(-c3ccc(Cl)cc3)o2)cc1)N1CCCC1.
What is the InChIKey of [4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is LDXCEWWVHXWJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c22-17-7-3-15(4-8-17)19-13-24-20(27-19)14-23-18-9-5-16(6-10-18)21(26)25-11-1-2-12-25/h3-10,13,23H,1-2,11-12,14H2.
What are the key properties of [4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-pyrrolidin-1-ylmethanone?
[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 381.86 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134020114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).