5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

C15H21N5O2 — CID 97404552

IUPAC5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1noc2c1CN(Cc1cnn(C)c1)CC2
InChIInChI=1S/C15H21N5O2/c1-10(2)17-15(21)14-12-9-20(5-4-13(12)22-18-14)8-11-6-16-19(3)7-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,21)
InChIKeyIXLKBRQZHJBSRS-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.10
Rot. Bonds4

About 5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 97404552) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
PubChem CID97404552
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1noc2c1CN(Cc1cnn(C)c1)CC2
InChIInChI=1S/C15H21N5O2/c1-10(2)17-15(21)14-12-9-20(5-4-13(12)22-18-14)8-11-6-16-19(3)7-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,21)
InChIKeyIXLKBRQZHJBSRS-UHFFFAOYSA-N
XLogP1.10
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of 5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (CID 97404552) is 5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is CC(C)NC(=O)c1noc2c1CN(Cc1cnn(C)c1)CC2.
What is the InChIKey of 5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is IXLKBRQZHJBSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-10(2)17-15(21)14-12-9-20(5-4-13(12)22-18-14)8-11-6-16-19(3)7-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,21).
What are the key properties of 5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 97404552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).