N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

C14H20N4O3 — CID 70764788

IUPACN-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCCc1noc(CCNC(=O)c2cc(CC(C)C)no2)n1
InChIInChI=1S/C14H20N4O3/c1-4-12-16-13(21-18-12)5-6-15-14(19)11-8-10(17-20-11)7-9(2)3/h8-9H,4-7H2,1-3H3,(H,15,19)
InChIKeyOINBAYUVCYVTMT-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.79
Rot. Bonds7

About N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (PubChem CID 70764788) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
PubChem CID70764788
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCCc1noc(CCNC(=O)c2cc(CC(C)C)no2)n1
InChIInChI=1S/C14H20N4O3/c1-4-12-16-13(21-18-12)5-6-15-14(19)11-8-10(17-20-11)7-9(2)3/h8-9H,4-7H2,1-3H3,(H,15,19)
InChIKeyOINBAYUVCYVTMT-UHFFFAOYSA-N
XLogP1.79
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 29154225
N-butyl-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide
CID 118754022
N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 95730410
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 70753555
N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 70737249
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 70770521
(5R,7S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100480
2-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 143940575
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 50957545
N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 53211498
2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 122568510
(2S)-2-(ethoxymethyl)-4-[(3-ethyl-1,2-oxazole-5-carbonyl)amino]-2-methylbutanoic acid
CID 129189579

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (CID 70764788) is N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is CCc1noc(CCNC(=O)c2cc(CC(C)C)no2)n1.
What is the InChIKey of N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is OINBAYUVCYVTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-4-12-16-13(21-18-12)5-6-15-14(19)11-8-10(17-20-11)7-9(2)3/h8-9H,4-7H2,1-3H3,(H,15,19).
What are the key properties of N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 70764788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).