2-methyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1,3-oxazole-4-carboxamide

C17H21N5O2 — CID 126919295

IUPAC2-methyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCC2CN(c3cc4c(nn3)CCCC4)C2)co1
InChIInChI=1S/C17H21N5O2/c1-11-19-15(10-24-11)17(23)18-7-12-8-22(9-12)16-6-13-4-2-3-5-14(13)20-21-16/h6,10,12H,2-5,7-9H2,1H3,(H,18,23)
InChIKeyPCBYSBGIKTZCQK-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.52
Rot. Bonds4

About 2-methyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1,3-oxazole-4-carboxamide

2-methyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 126919295) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-methyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID126919295
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name2-methyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCC2CN(c3cc4c(nn3)CCCC4)C2)co1
InChIInChI=1S/C17H21N5O2/c1-11-19-15(10-24-11)17(23)18-7-12-8-22(9-12)16-6-13-4-2-3-5-14(13)20-21-16/h6,10,12H,2-5,7-9H2,1H3,(H,18,23)
InChIKeyPCBYSBGIKTZCQK-UHFFFAOYSA-N
XLogP1.52
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1,3-oxazole-4-carboxamide (CID 126919295) is 2-methyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NCC2CN(c3cc4c(nn3)CCCC4)C2)co1.
What is the InChIKey of 2-methyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is PCBYSBGIKTZCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11-19-15(10-24-11)17(23)18-7-12-8-22(9-12)16-6-13-4-2-3-5-14(13)20-21-16/h6,10,12H,2-5,7-9H2,1H3,(H,18,23).
What are the key properties of 2-methyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1,3-oxazole-4-carboxamide?
2-methyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126919295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).