1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide

C15H18N4O2 — CID 42891680

IUPAC1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide
SMILESCc1noc(CN2CCCC2C(=O)Nc2ccccc2)n1
InChIInChI=1S/C15H18N4O2/c1-11-16-14(21-18-11)10-19-9-5-8-13(19)15(20)17-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3,(H,17,20)
InChIKeyCMNGWYFYWLQMLN-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.98
Rot. Bonds4

About 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide

1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide (PubChem CID 42891680) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide
PubChem CID42891680
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide
SMILESCc1noc(CN2CCCC2C(=O)Nc2ccccc2)n1
InChIInChI=1S/C15H18N4O2/c1-11-16-14(21-18-11)10-19-9-5-8-13(19)15(20)17-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3,(H,17,20)
InChIKeyCMNGWYFYWLQMLN-UHFFFAOYSA-N
XLogP1.98
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide
CID 43074702
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55852788
N-(3,5-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 42957925
1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide
CID 60563181
3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 107072051
N-(3,5-dichlorophenyl)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 55628124
(2R)-1-[(1-cyclopropyltetrazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide
CID 94810986
1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909685
(2R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 119913908
(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 72926983
1-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]-3-phenylthiourea
CID 102344784
1-[2-(methylcarbamoylamino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
CID 42948760

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide (CID 42891680) is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide is Cc1noc(CN2CCCC2C(=O)Nc2ccccc2)n1.
What is the InChIKey of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is CMNGWYFYWLQMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-16-14(21-18-11)10-19-9-5-8-13(19)15(20)17-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3,(H,17,20).
What are the key properties of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide?
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 42891680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).