N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxamide

C23H27N5O3 — CID 110130684

IUPACN-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(Cc2cc(C(C)C)no2)CCN(C(=O)c2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C23H27N5O3/c1-16(2)20-13-19(31-26-20)14-23(22(30)24-3)8-11-27(15-23)21(29)17-6-4-7-18(12-17)28-10-5-9-25-28/h4-7,9-10,12-13,16H,8,11,14-15H2,1-3H3,(H,24,30)
InChIKeyVGLGFGPXXAYVQU-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.80
Rot. Bonds6

About N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxamide

N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxamide (PubChem CID 110130684) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxamide
PubChem CID110130684
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(Cc2cc(C(C)C)no2)CCN(C(=O)c2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C23H27N5O3/c1-16(2)20-13-19(31-26-20)14-23(22(30)24-3)8-11-27(15-23)21(29)17-6-4-7-18(12-17)28-10-5-9-25-28/h4-7,9-10,12-13,16H,8,11,14-15H2,1-3H3,(H,24,30)
InChIKeyVGLGFGPXXAYVQU-UHFFFAOYSA-N
XLogP2.80
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone
CID 139027277
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 127249263
3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N-methyl-1-(quinoline-6-carbonyl)pyrrolidine-3-carboxamide
CID 127249241
1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 127249257
2-methyl-1'-(3-pyrazol-1-ylbenzoyl)spiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
CID 165425555
N-[6-(3-pyrazol-1-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]acetamide
CID 169419360
(3S)-N-ethyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592379
N-ethyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229647
3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-methylpyrrolidine-3-carboxamide
CID 127249251
(3S)-3-methyl-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125148601
[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 97189447
[6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 70769800

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxamide (CID 110130684) is N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxamide is CNC(=O)C1(Cc2cc(C(C)C)no2)CCN(C(=O)c2cccc(-n3cccn3)c2)C1.
What is the InChIKey of N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxamide?
The InChIKey is VGLGFGPXXAYVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-16(2)20-13-19(31-26-20)14-23(22(30)24-3)8-11-27(15-23)21(29)17-6-4-7-18(12-17)28-10-5-9-25-28/h4-7,9-10,12-13,16H,8,11,14-15H2,1-3H3,(H,24,30).
What are the key properties of N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxamide?
N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110130684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).