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

C14H19N5O2 — CID 97405660

IUPACN-[[5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide
SMILESCC(=O)NCc1noc2c1CN(Cc1cnn(C)c1)CC2
InChIInChI=1S/C14H19N5O2/c1-10(20)15-6-13-12-9-19(4-3-14(12)21-17-13)8-11-5-16-18(2)7-11/h5,7H,3-4,6,8-9H2,1-2H3,(H,15,20)
InChIKeyUIDXENQNZZQKAW-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.60
Rot. Bonds4

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

N-[[5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide (PubChem CID 97405660) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[[5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide
PubChem CID97405660
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-[[5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide
SMILESCC(=O)NCc1noc2c1CN(Cc1cnn(C)c1)CC2
InChIInChI=1S/C14H19N5O2/c1-10(20)15-6-13-12-9-19(4-3-14(12)21-17-13)8-11-5-16-18(2)7-11/h5,7H,3-4,6,8-9H2,1-2H3,(H,15,20)
InChIKeyUIDXENQNZZQKAW-UHFFFAOYSA-N
XLogP0.60
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide?
The IUPAC name of N-[[5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide (CID 97405660) is N-[[5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide is CC(=O)NCc1noc2c1CN(Cc1cnn(C)c1)CC2.
What is the InChIKey of N-[[5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide?
The InChIKey is UIDXENQNZZQKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10(20)15-6-13-12-9-19(4-3-14(12)21-17-13)8-11-5-16-18(2)7-11/h5,7H,3-4,6,8-9H2,1-2H3,(H,15,20).
What are the key properties of N-[[5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide?
N-[[5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide has a molecular weight of 289.34 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]acetamide is sourced from PubChem (CID 97405660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).