N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide

C14H19N5O2 — CID 107376112

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCc2c(C)noc2C)cn1
InChIInChI=1S/C14H19N5O2/c1-4-5-15-13-8-16-12(7-17-13)14(20)18-6-11-9(2)19-21-10(11)3/h7-8H,4-6H2,1-3H3,(H,15,17)(H,18,20)
InChIKeyQNUVHJDXRJEQBL-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.83
Rot. Bonds6

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide (PubChem CID 107376112) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide
PubChem CID107376112
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCc2c(C)noc2C)cn1
InChIInChI=1S/C14H19N5O2/c1-4-5-15-13-8-16-12(7-17-13)14(20)18-6-11-9(2)19-21-10(11)3/h7-8H,4-6H2,1-3H3,(H,15,17)(H,18,20)
InChIKeyQNUVHJDXRJEQBL-UHFFFAOYSA-N
XLogP1.83
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(propylamino)pyridine-2-carboxamide
CID 79231920
N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376964
N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109270966
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107375019
N-[(2-methylpyrimidin-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107374799
N-(1H-imidazol-2-ylmethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375878
6-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazine-2-carboxamide
CID 114035994
5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide
CID 107376665
N-(2-ethoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107377139
N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376810
N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375562
N-[(3-fluorophenyl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107374362

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide (CID 107376112) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)NCc2c(C)noc2C)cn1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide?
The InChIKey is QNUVHJDXRJEQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-5-15-13-8-16-12(7-17-13)14(20)18-6-11-9(2)19-21-10(11)3/h7-8H,4-6H2,1-3H3,(H,15,17)(H,18,20).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107376112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).