5-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide

C12H14ClN5O2 — CID 103744013

IUPAC5-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)NCCc2ncno2)n1
InChIInChI=1S/C12H14ClN5O2/c1-7(2)11-15-5-8(13)10(18-11)12(19)14-4-3-9-16-6-17-20-9/h5-7H,3-4H2,1-2H3,(H,14,19)
InChIKeyNHNRUPKEOZNYCC-UHFFFAOYSA-N
MW295.73 g/mol
LogP1.61
Rot. Bonds5

About 5-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide

5-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 103744013) has the molecular formula C12H14ClN5O2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 5-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID103744013
Molecular FormulaC12H14ClN5O2
Molecular Weight295.73 g/mol
Exact Mass295.08
IUPAC Name5-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)NCCc2ncno2)n1
InChIInChI=1S/C12H14ClN5O2/c1-7(2)11-15-5-8(13)10(18-11)12(19)14-4-3-9-16-6-17-20-9/h5-7H,3-4H2,1-2H3,(H,14,19)
InChIKeyNHNRUPKEOZNYCC-UHFFFAOYSA-N
XLogP1.61
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459040
N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119382250
5-chloro-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide
CID 47459215
5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107317162
5-chloro-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62020193
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 102904944
5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459372
4-chloro-6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103894105
6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103744039
5-chloro-N-[2-[ethyl(propyl)amino]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 103719266
5-chloro-N-[2-(cycloheptylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119619321
5-chloro-N-[3-(cyclopropylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 79376786

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide (CID 103744013) is 5-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(Cl)c(C(=O)NCCc2ncno2)n1.
What is the InChIKey of 5-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is NHNRUPKEOZNYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2/c1-7(2)11-15-5-8(13)10(18-11)12(19)14-4-3-9-16-6-17-20-9/h5-7H,3-4H2,1-2H3,(H,14,19).
What are the key properties of 5-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
5-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 295.73 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 103744013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).