(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(3S)-3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone

C14H19N5O2 — CID 164638204

IUPAC(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(3S)-3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C(C)C)oc1C(=O)N1CC[C@H](c2ncn[nH]2)C1
InChIInChI=1S/C14H19N5O2/c1-8(2)13-17-9(3)11(21-13)14(20)19-5-4-10(6-19)12-15-7-16-18-12/h7-8,10H,4-6H2,1-3H3,(H,15,16,18)/t10-/m0/s1
InChIKeySFEQOOURKJAQKZ-JTQLQIEISA-N
MW289.34 g/mol
LogP1.85
Rot. Bonds3

About (4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(3S)-3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone

(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(3S)-3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 164638204) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is (4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(3S)-3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(3S)-3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID164638204
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(3S)-3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C(C)C)oc1C(=O)N1CC[C@H](c2ncn[nH]2)C1
InChIInChI=1S/C14H19N5O2/c1-8(2)13-17-9(3)11(21-13)14(20)19-5-4-10(6-19)12-15-7-16-18-12/h7-8,10H,4-6H2,1-3H3,(H,15,16,18)/t10-/m0/s1
InChIKeySFEQOOURKJAQKZ-JTQLQIEISA-N
XLogP1.85
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-[(1S)-3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-5-carboxamide
CID 97330163
[(3S,4S)-3-(3-Cyclopropyl-1H-1,2,4-triazol-5-YL)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-YL](4-methyl-1,3-oxazol-5-YL)methanone
CID 137903870
2-cyclopropyl-N-[[3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1H-1,2,4-triazol-5-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 137953557
4-methyl-2-propan-2-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-oxazole-5-carboxamide
CID 137975858
N-[2,2-difluoro-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 137982332
2,4-dimethyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-oxazole-5-carboxamide
CID 154846277
((3S,4R)-3-(3-Cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl)(4-methyloxazol-5-yl)methanone
CID 168441005
2-ethyl-4-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 56742629
2-(5-ethyl-1H-[1,2,4]triazol-3-ylmethyl)-4-methyl-oxazole-5-carboxylic acid amide
CID 57571563
2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 68801876
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 50953307
1-[(2,4-dimethyl-1,3-oxazol-5-yl)carbonyl]-4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70748460

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(3S)-3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(3S)-3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone (CID 164638204) is (4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(3S)-3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(3S)-3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(3S)-3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone is Cc1nc(C(C)C)oc1C(=O)N1CC[C@H](c2ncn[nH]2)C1.
What is the InChIKey of (4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(3S)-3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is SFEQOOURKJAQKZ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N5O2/c1-8(2)13-17-9(3)11(21-13)14(20)19-5-4-10(6-19)12-15-7-16-18-12/h7-8,10H,4-6H2,1-3H3,(H,15,16,18)/t10-/m0/s1.
What are the key properties of (4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(3S)-3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone?
(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(3S)-3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 289.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(3S)-3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 164638204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).