N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide

C13H17N5O2 — CID 125438647

IUPACN-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide
SMILESCc1ncn(C)c1C(=O)N[C@@H](C)c1nc(C2CC2)no1
InChIInChI=1S/C13H17N5O2/c1-7-10(18(3)6-14-7)12(19)15-8(2)13-16-11(17-20-13)9-4-5-9/h6,8-9H,4-5H2,1-3H3,(H,15,19)/t8-/m0/s1
InChIKeyIMULOOYSESBHNJ-QMMMGPOBSA-N
MW275.31 g/mol
LogP1.48
Rot. Bonds4

About N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide

N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide (PubChem CID 125438647) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide
PubChem CID125438647
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide
SMILESCc1ncn(C)c1C(=O)N[C@@H](C)c1nc(C2CC2)no1
InChIInChI=1S/C13H17N5O2/c1-7-10(18(3)6-14-7)12(19)15-8(2)13-16-11(17-20-13)9-4-5-9/h6,8-9H,4-5H2,1-3H3,(H,15,19)/t8-/m0/s1
InChIKeyIMULOOYSESBHNJ-QMMMGPOBSA-N
XLogP1.48
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 86781980
7-[[5-(Diethylaminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpurine-2,6-dione
CID 14748457
7-[2-[5-(Diethylaminomethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-methylpurine-2,6-dione
CID 17802411
1,3-Dimethyl-7-[[5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione
CID 20249934
1,3-Dimethyl-7-[[5-[(propan-2-ylamino)methyl]-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione
CID 20249956
1,3-Dimethyl-7-[3-[5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-yl]propyl]purine-2,6-dione
CID 20249993
3-Cyclopropyl-5-(3,5-dimethyl-3H-imidazol-4-yl)-[1,2,4]oxadiazole
CID 22271741
3-ethyl-N,7-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 57635625
7-Methyl-1-(1,2,4-oxadiazol-5-ylmethyl)purin-6-one;3-methylpyrrolidine
CID 142421885
1-[[3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one
CID 142421971
1-[[3-(3-Azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one
CID 142423095
2-cyclopropyl-N-ethyl-3,5-dimethylimidazole-4-carboxamide
CID 144278129

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide (CID 125438647) is N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide is Cc1ncn(C)c1C(=O)N[C@@H](C)c1nc(C2CC2)no1.
What is the InChIKey of N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide?
The InChIKey is IMULOOYSESBHNJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-7-10(18(3)6-14-7)12(19)15-8(2)13-16-11(17-20-13)9-4-5-9/h6,8-9H,4-5H2,1-3H3,(H,15,19)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide?
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 125438647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).