[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone

C13H15N3O3 — CID 62371859

IUPAC[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
SMILESCc1noc2ncc(C(=O)N3CCC(CO)C3)cc12
InChIInChI=1S/C13H15N3O3/c1-8-11-4-10(5-14-12(11)19-15-8)13(18)16-3-2-9(6-16)7-17/h4-5,9,17H,2-3,6-7H2,1H3
InChIKeyDSULFZGEXRDHIS-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.99
Rot. Bonds2

About [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone

[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone (PubChem CID 62371859) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
PubChem CID62371859
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
SMILESCc1noc2ncc(C(=O)N3CCC(CO)C3)cc12
InChIInChI=1S/C13H15N3O3/c1-8-11-4-10(5-14-12(11)19-15-8)13(18)16-3-2-9(6-16)7-17/h4-5,9,17H,2-3,6-7H2,1H3
InChIKeyDSULFZGEXRDHIS-UHFFFAOYSA-N
XLogP0.99
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)azetidin-3-yl]acetic acid
CID 64604347
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
CID 119645414
methyl 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylate
CID 112733952
N-[3-[(3S)-3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 97260286
(3-hydroxyazetidin-1-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 55178781
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
CID 119622726
1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperidine-4-carbonitrile
CID 49062645
(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 38161377
(2,6-dimethylmorpholin-4-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 47150631
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
CID 119631996
2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 79372237
(6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112628622

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone (CID 62371859) is [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone is Cc1noc2ncc(C(=O)N3CCC(CO)C3)cc12.
What is the InChIKey of [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The InChIKey is DSULFZGEXRDHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-11-4-10(5-14-12(11)19-15-8)13(18)16-3-2-9(6-16)7-17/h4-5,9,17H,2-3,6-7H2,1H3.
What are the key properties of [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone has a molecular weight of 261.28 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 62371859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).