1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyrrolidin-2-one

C19H18N6O3S — CID 170504120

IUPAC1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyrrolidin-2-one
SMILESCc1nnc(N2CC(C(=O)N3CCc4oc(-c5cccnc5)nc4C3)CC2=O)s1
InChIInChI=1S/C19H18N6O3S/c1-11-22-23-19(29-11)25-9-13(7-16(25)26)18(27)24-6-4-15-14(10-24)21-17(28-15)12-3-2-5-20-8-12/h2-3,5,8,13H,4,6-7,9-10H2,1H3
InChIKeyXUWNWGSJBFZSHA-UHFFFAOYSA-N
MW410.46 g/mol
LogP1.83
Rot. Bonds3

About 1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyrrolidin-2-one

1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyrrolidin-2-one (PubChem CID 170504120) has the molecular formula C19H18N6O3S and a molecular weight of 410.46 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyrrolidin-2-one
PubChem CID170504120
Molecular FormulaC19H18N6O3S
Molecular Weight410.46 g/mol
Exact Mass410.12
IUPAC Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyrrolidin-2-one
SMILESCc1nnc(N2CC(C(=O)N3CCc4oc(-c5cccnc5)nc4C3)CC2=O)s1
InChIInChI=1S/C19H18N6O3S/c1-11-22-23-19(29-11)25-9-13(7-16(25)26)18(27)24-6-4-15-14(10-24)21-17(28-15)12-3-2-5-20-8-12/h2-3,5,8,13H,4,6-7,9-10H2,1H3
InChIKeyXUWNWGSJBFZSHA-UHFFFAOYSA-N
XLogP1.83
TPSA105.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyrrolidin-2-one with MolForge

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Related Compounds

(1-methylpyrrolidin-3-yl)-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170512029
2-ethoxy-1-[4-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone
CID 170509764
1-methyl-5-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)piperidin-2-one
CID 169419842
[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170512265
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170502442
(5R,6S)-5-phenyl-6-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)morpholin-3-one
CID 170507374
cis-methyl (1R,3S)-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)cyclopentane-1-carboxylate
CID 170509621
(2S)-2-amino-3-(1H-imidazol-5-yl)-1-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 169420006
1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697095
5-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridine-2-carbonitrile
CID 169413116
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170504699
[1-(2-hydroxyethyl)piperidin-3-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170503407

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyrrolidin-2-one (CID 170504120) is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyrrolidin-2-one is Cc1nnc(N2CC(C(=O)N3CCc4oc(-c5cccnc5)nc4C3)CC2=O)s1.
What is the InChIKey of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyrrolidin-2-one?
The InChIKey is XUWNWGSJBFZSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3S/c1-11-22-23-19(29-11)25-9-13(7-16(25)26)18(27)24-6-4-15-14(10-24)21-17(28-15)12-3-2-5-20-8-12/h2-3,5,8,13H,4,6-7,9-10H2,1H3.
What are the key properties of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyrrolidin-2-one?
1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyrrolidin-2-one has a molecular weight of 410.46 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 170504120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).