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

C20H23N3O2 — CID 169420822

IUPAC(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(5-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCc4oc(C(C)(C)C)nc4C3)cc2c1
InChIInChI=1S/C20H23N3O2/c1-12-5-6-14-13(9-12)10-15(21-14)18(24)23-8-7-17-16(11-23)22-19(25-17)20(2,3)4/h5-6,9-10,21H,7-8,11H2,1-4H3
InChIKeyPQQPNBXWCQWDLX-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.96
Rot. Bonds1

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

(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(5-methyl-1H-indol-2-yl)methanone (PubChem CID 169420822) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(5-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(5-methyl-1H-indol-2-yl)methanone
PubChem CID169420822
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(5-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCc4oc(C(C)(C)C)nc4C3)cc2c1
InChIInChI=1S/C20H23N3O2/c1-12-5-6-14-13(9-12)10-15(21-14)18(24)23-8-7-17-16(11-23)22-19(25-17)20(2,3)4/h5-6,9-10,21H,7-8,11H2,1-4H3
InChIKeyPQQPNBXWCQWDLX-UHFFFAOYSA-N
XLogP3.96
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
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
(5-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 4210929
(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyrimidin-5-ylmethanone
CID 169411802
(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(3-methyl-2-pyridinyl)methanone
CID 169417212
(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(2-pyrazol-1-ylphenyl)methanone
CID 169419530
(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
4-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-2,3-dihydroinden-1-one
CID 169417300
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)-(4-piperidin-4-ylphenyl)methanone;hydrochloride
CID 171710126
4-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)piperidin-2-one
CID 170502297
(5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 3403714

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)-(5-methyl-1H-indol-2-yl)methanone?
The IUPAC name of (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) is (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(5-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(5-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(5-methyl-1H-indol-2-yl)methanone is Cc1ccc2[nH]c(C(=O)N3CCc4oc(C(C)(C)C)nc4C3)cc2c1.
What is the InChIKey of (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(5-methyl-1H-indol-2-yl)methanone?
The InChIKey is PQQPNBXWCQWDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-12-5-6-14-13(9-12)10-15(21-14)18(24)23-8-7-17-16(11-23)22-19(25-17)20(2,3)4/h5-6,9-10,21H,7-8,11H2,1-4H3.
What are the key properties of (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(5-methyl-1H-indol-2-yl)methanone?
(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(5-methyl-1H-indol-2-yl)methanone has a molecular weight of 337.42 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 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)-(5-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 169420822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).