2-ethyl-4-methyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,3-oxazole-5-carboxamide

C14H18N4O2 — CID 125462160

IUPAC2-ethyl-4-methyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@H]2CCc3cn[nH]c3C2)o1
InChIInChI=1S/C14H18N4O2/c1-3-12-16-8(2)13(20-12)14(19)17-10-5-4-9-7-15-18-11(9)6-10/h7,10H,3-6H2,1-2H3,(H,15,18)(H,17,19)/t10-/m0/s1
InChIKeyAXZDXWDAOHJDKB-JTQLQIEISA-N
MW274.32 g/mol
LogP1.56
Rot. Bonds3

About 2-ethyl-4-methyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,3-oxazole-5-carboxamide

2-ethyl-4-methyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,3-oxazole-5-carboxamide (PubChem CID 125462160) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,3-oxazole-5-carboxamide
PubChem CID125462160
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-ethyl-4-methyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@H]2CCc3cn[nH]c3C2)o1
InChIInChI=1S/C14H18N4O2/c1-3-12-16-8(2)13(20-12)14(19)17-10-5-4-9-7-15-18-11(9)6-10/h7,10H,3-6H2,1-2H3,(H,15,18)(H,17,19)/t10-/m0/s1
InChIKeyAXZDXWDAOHJDKB-JTQLQIEISA-N
XLogP1.56
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,3-oxazole-5-carboxamide (CID 125462160) is 2-ethyl-4-methyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)N[C@H]2CCc3cn[nH]c3C2)o1.
What is the InChIKey of 2-ethyl-4-methyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is AXZDXWDAOHJDKB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-12-16-8(2)13(20-12)14(19)17-10-5-4-9-7-15-18-11(9)6-10/h7,10H,3-6H2,1-2H3,(H,15,18)(H,17,19)/t10-/m0/s1.
What are the key properties of 2-ethyl-4-methyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,3-oxazole-5-carboxamide?
2-ethyl-4-methyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 125462160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).