(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyrimidin-5-ylmethanone

C15H18N4O2 — CID 169411802

IUPAC(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyrimidin-5-ylmethanone
SMILESCC(C)(C)c1nc2c(o1)CCN(C(=O)c1cncnc1)C2
InChIInChI=1S/C15H18N4O2/c1-15(2,3)14-18-11-8-19(5-4-12(11)21-14)13(20)10-6-16-9-17-7-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeyNXBVIRYRTPTTIO-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.96
Rot. Bonds1

About (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyrimidin-5-ylmethanone

(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyrimidin-5-ylmethanone (PubChem CID 169411802) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyrimidin-5-ylmethanone
PubChem CID169411802
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyrimidin-5-ylmethanone
SMILESCC(C)(C)c1nc2c(o1)CCN(C(=O)c1cncnc1)C2
InChIInChI=1S/C15H18N4O2/c1-15(2,3)14-18-11-8-19(5-4-12(11)21-14)13(20)10-6-16-9-17-7-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeyNXBVIRYRTPTTIO-UHFFFAOYSA-N
XLogP1.96
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-6-methyl-1H-pyridin-2-one
CID 170502822
(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 170511079
(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 169422318
(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(3-methyl-2-pyridinyl)methanone
CID 169417212
4-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-2,3-dihydroinden-1-one
CID 169417300
(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(4-piperidin-4-ylphenyl)methanone;hydrochloride
CID 171710126
1-[3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)phenyl]imidazolidin-2-one
CID 170508919
(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(5-methyl-1H-indol-2-yl)methanone
CID 169420822
(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(2-pyrazol-1-ylphenyl)methanone
CID 169419530
4-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)piperidin-2-one
CID 170502297
5-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-2-phenyl-1H-pyrazol-3-one
CID 170504761
acetic acid;(2S)-1-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-(methylamino)propan-1-one
CID 171712660

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyrimidin-5-ylmethanone?
The IUPAC name of (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyrimidin-5-ylmethanone (CID 169411802) is (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyrimidin-5-ylmethanone.
What is the SMILES notation for (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyrimidin-5-ylmethanone?
The canonical SMILES for (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyrimidin-5-ylmethanone is CC(C)(C)c1nc2c(o1)CCN(C(=O)c1cncnc1)C2.
What is the InChIKey of (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyrimidin-5-ylmethanone?
The InChIKey is NXBVIRYRTPTTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-15(2,3)14-18-11-8-19(5-4-12(11)21-14)13(20)10-6-16-9-17-7-10/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyrimidin-5-ylmethanone?
(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyrimidin-5-ylmethanone has a molecular weight of 286.33 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyrimidin-5-ylmethanone is sourced from PubChem (CID 169411802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).