N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C19H22ClN3O2 — CID 60553549

IUPACN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(c1cccc(Cl)c1)N1CCCC1)c1cc(C2CC2)on1
InChIInChI=1S/C19H22ClN3O2/c20-15-5-3-4-14(10-15)17(23-8-1-2-9-23)12-21-19(24)16-11-18(25-22-16)13-6-7-13/h3-5,10-11,13,17H,1-2,6-9,12H2,(H,21,24)
InChIKeyKFSCUJIFWAKTHC-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.77
Rot. Bonds6

About N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 60553549) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID60553549
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(c1cccc(Cl)c1)N1CCCC1)c1cc(C2CC2)on1
InChIInChI=1S/C19H22ClN3O2/c20-15-5-3-4-14(10-15)17(23-8-1-2-9-23)12-21-19(24)16-11-18(25-22-16)13-6-7-13/h3-5,10-11,13,17H,1-2,6-9,12H2,(H,21,24)
InChIKeyKFSCUJIFWAKTHC-UHFFFAOYSA-N
XLogP3.77
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 95130289
5-cyclopropyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 95130287
N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 91624378
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51108370
5-cyclopropyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-3-carboxamide
CID 32911137
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide
CID 112506807
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2,6-dimethoxybenzamide
CID 112506810
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110623981
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-fluoropyridine-2-carboxamide
CID 167930365
N-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119529507
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 39866693
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3,4-dimethylbenzamide
CID 112506811

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 60553549) is N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is O=C(NCC(c1cccc(Cl)c1)N1CCCC1)c1cc(C2CC2)on1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is KFSCUJIFWAKTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-15-5-3-4-14(10-15)17(23-8-1-2-9-23)12-21-19(24)16-11-18(25-22-16)13-6-7-13/h3-5,10-11,13,17H,1-2,6-9,12H2,(H,21,24).
What are the key properties of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 60553549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).