3-(5-methyltetrazol-1-yl)-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one

C17H18N6O2 — CID 169414301

IUPAC3-(5-methyltetrazol-1-yl)-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
SMILESCc1nnnn1CCC(=O)N1CCc2oc(-c3ccccc3)nc2C1
InChIInChI=1S/C17H18N6O2/c1-12-19-20-21-23(12)10-8-16(24)22-9-7-15-14(11-22)18-17(25-15)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3
InChIKeyKVDNXDYCGOHNAW-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.61
Rot. Bonds4

About 3-(5-methyltetrazol-1-yl)-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one

3-(5-methyltetrazol-1-yl)-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one (PubChem CID 169414301) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-(5-methyltetrazol-1-yl)-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(5-methyltetrazol-1-yl)-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
PubChem CID169414301
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name3-(5-methyltetrazol-1-yl)-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
SMILESCc1nnnn1CCC(=O)N1CCc2oc(-c3ccccc3)nc2C1
InChIInChI=1S/C17H18N6O2/c1-12-19-20-21-23(12)10-8-16(24)22-9-7-15-14(11-22)18-17(25-15)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3
InChIKeyKVDNXDYCGOHNAW-UHFFFAOYSA-N
XLogP1.61
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methylsulfonyl-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 170502048
5-amino-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pentan-1-one;hydrochloride
CID 171710804
2-(cyclopropylamino)-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 170504582
(2,5-dimethylpyrazol-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 169414023
(5S)-5-[3-oxo-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]imidazolidine-2,4-dione
CID 170509553
(3-methyl-1,2-oxazol-5-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170504606
1,2-dimethyl-6-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-4-one
CID 170512533
(1-ethylpyrazol-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170504334
[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 169419453
2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid
CID 91350154
(3-methylpiperidin-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 169421348
1-methyl-5-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)piperidin-2-one
CID 169419842

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyltetrazol-1-yl)-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 3-(5-methyltetrazol-1-yl)-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one (CID 169414301) is 3-(5-methyltetrazol-1-yl)-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 3-(5-methyltetrazol-1-yl)-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 3-(5-methyltetrazol-1-yl)-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one is Cc1nnnn1CCC(=O)N1CCc2oc(-c3ccccc3)nc2C1.
What is the InChIKey of 3-(5-methyltetrazol-1-yl)-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one?
The InChIKey is KVDNXDYCGOHNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-12-19-20-21-23(12)10-8-16(24)22-9-7-15-14(11-22)18-17(25-15)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3.
What are the key properties of 3-(5-methyltetrazol-1-yl)-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one?
3-(5-methyltetrazol-1-yl)-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one has a molecular weight of 338.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyltetrazol-1-yl)-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 169414301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).