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

C17H21N5O2 — CID 126919519

IUPACN,5-dimethyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)N(C)C1CN(c2cc3c(nn2)CCCC3)C1
InChIInChI=1S/C17H21N5O2/c1-11-14(8-18-24-11)17(23)21(2)13-9-22(10-13)16-7-12-5-3-4-6-15(12)19-20-16/h7-8,13H,3-6,9-10H2,1-2H3
InChIKeyQTDDXXGBBZUTIV-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.61
Rot. Bonds3

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

N,5-dimethyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide (PubChem CID 126919519) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N,5-dimethyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide
PubChem CID126919519
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN,5-dimethyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)N(C)C1CN(c2cc3c(nn2)CCCC3)C1
InChIInChI=1S/C17H21N5O2/c1-11-14(8-18-24-11)17(23)21(2)13-9-22(10-13)16-7-12-5-3-4-6-15(12)19-20-16/h7-8,13H,3-6,9-10H2,1-2H3
InChIKeyQTDDXXGBBZUTIV-UHFFFAOYSA-N
XLogP1.61
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide (CID 126919519) is N,5-dimethyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)N(C)C1CN(c2cc3c(nn2)CCCC3)C1.
What is the InChIKey of N,5-dimethyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is QTDDXXGBBZUTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11-14(8-18-24-11)17(23)21(2)13-9-22(10-13)16-7-12-5-3-4-6-15(12)19-20-16/h7-8,13H,3-6,9-10H2,1-2H3.
What are the key properties of N,5-dimethyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide?
N,5-dimethyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 126919519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).