[5-(3-methylphenyl)-1,3-oxazol-4-yl]-[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]methanone

C20H23N5O2 — CID 155881706

IUPAC[5-(3-methylphenyl)-1,3-oxazol-4-yl]-[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]methanone
SMILESCc1cccc(-c2ocnc2C(=O)N2CCCC2CCc2nncn2C)c1
InChIInChI=1S/C20H23N5O2/c1-14-5-3-6-15(11-14)19-18(21-13-27-19)20(26)25-10-4-7-16(25)8-9-17-23-22-12-24(17)2/h3,5-6,11-13,16H,4,7-10H2,1-2H3
InChIKeyDTXJQEUMZIFKTI-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.02
Rot. Bonds5

About [5-(3-methylphenyl)-1,3-oxazol-4-yl]-[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]methanone

[5-(3-methylphenyl)-1,3-oxazol-4-yl]-[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]methanone (PubChem CID 155881706) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is [5-(3-methylphenyl)-1,3-oxazol-4-yl]-[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(3-methylphenyl)-1,3-oxazol-4-yl]-[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]methanone
PubChem CID155881706
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name[5-(3-methylphenyl)-1,3-oxazol-4-yl]-[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]methanone
SMILESCc1cccc(-c2ocnc2C(=O)N2CCCC2CCc2nncn2C)c1
InChIInChI=1S/C20H23N5O2/c1-14-5-3-6-15(11-14)19-18(21-13-27-19)20(26)25-10-4-7-16(25)8-9-17-23-22-12-24(17)2/h3,5-6,11-13,16H,4,7-10H2,1-2H3
InChIKeyDTXJQEUMZIFKTI-UHFFFAOYSA-N
XLogP3.02
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 155881662
(6-methoxy-1H-indol-2-yl)-[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]methanone
CID 155882027
[2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 155881609
[4-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 3232247
5-(3-methylphenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 20963716
[2-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 155882087
[(2S)-2-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-1-yl]-[3-(3-methylphenyl)pyrazin-2-yl]methanone
CID 127038061
[2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 155881600
(2,5-dimethylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 95578829
[2-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone
CID 163336251
[2-[2-(4-benzyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 155881579
8-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-1-oxa-4,8-diazacycloundecan-5-one
CID 110201617

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylphenyl)-1,3-oxazol-4-yl]-[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(3-methylphenyl)-1,3-oxazol-4-yl]-[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]methanone (CID 155881706) is [5-(3-methylphenyl)-1,3-oxazol-4-yl]-[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(3-methylphenyl)-1,3-oxazol-4-yl]-[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(3-methylphenyl)-1,3-oxazol-4-yl]-[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]methanone is Cc1cccc(-c2ocnc2C(=O)N2CCCC2CCc2nncn2C)c1.
What is the InChIKey of [5-(3-methylphenyl)-1,3-oxazol-4-yl]-[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]methanone?
The InChIKey is DTXJQEUMZIFKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-5-3-6-15(11-14)19-18(21-13-27-19)20(26)25-10-4-7-16(25)8-9-17-23-22-12-24(17)2/h3,5-6,11-13,16H,4,7-10H2,1-2H3.
What are the key properties of [5-(3-methylphenyl)-1,3-oxazol-4-yl]-[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]methanone?
[5-(3-methylphenyl)-1,3-oxazol-4-yl]-[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]methanone has a molecular weight of 365.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylphenyl)-1,3-oxazol-4-yl]-[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 155881706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).