(3R)-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indole-3-carboxamide

C17H13N7O3 — CID 25065057

IUPAC(3R)-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indole-3-carboxamide
SMILESNC(=O)[C@@H]1OC(=O)N2c3ccc(-c4ccc(-n5cnnn5)nc4)cc3CC12
InChIInChI=1S/C17H13N7O3/c18-16(25)15-13-6-11-5-9(1-3-12(11)24(13)17(26)27-15)10-2-4-14(19-7-10)23-8-20-21-22-23/h1-5,7-8,13,15H,6H2,(H2,18,25)/t13?,15-/m1/s1
InChIKeyISVFVSLDGSTDSV-AWKYBWMHSA-N
MW363.34 g/mol
LogP0.46
Rot. Bonds3

About (3R)-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indole-3-carboxamide

(3R)-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indole-3-carboxamide (PubChem CID 25065057) has the molecular formula C17H13N7O3 and a molecular weight of 363.34 g/mol. Its IUPAC name is (3R)-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indole-3-carboxamide
PubChem CID25065057
Molecular FormulaC17H13N7O3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name(3R)-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indole-3-carboxamide
SMILESNC(=O)[C@@H]1OC(=O)N2c3ccc(-c4ccc(-n5cnnn5)nc4)cc3CC12
InChIInChI=1S/C17H13N7O3/c18-16(25)15-13-6-11-5-9(1-3-12(11)24(13)17(26)27-15)10-2-4-14(19-7-10)23-8-20-21-22-23/h1-5,7-8,13,15H,6H2,(H2,18,25)/t13?,15-/m1/s1
InChIKeyISVFVSLDGSTDSV-AWKYBWMHSA-N
XLogP0.46
TPSA129.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indole-3-carboxamide?
The IUPAC name of (3R)-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indole-3-carboxamide (CID 25065057) is (3R)-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indole-3-carboxamide.
What is the SMILES notation for (3R)-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indole-3-carboxamide?
The canonical SMILES for (3R)-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indole-3-carboxamide is NC(=O)[C@@H]1OC(=O)N2c3ccc(-c4ccc(-n5cnnn5)nc4)cc3CC12.
What is the InChIKey of (3R)-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indole-3-carboxamide?
The InChIKey is ISVFVSLDGSTDSV-AWKYBWMHSA-N. The full InChI is InChI=1S/C17H13N7O3/c18-16(25)15-13-6-11-5-9(1-3-12(11)24(13)17(26)27-15)10-2-4-14(19-7-10)23-8-20-21-22-23/h1-5,7-8,13,15H,6H2,(H2,18,25)/t13?,15-/m1/s1.
What are the key properties of (3R)-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indole-3-carboxamide?
(3R)-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indole-3-carboxamide has a molecular weight of 363.34 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indole-3-carboxamide is sourced from PubChem (CID 25065057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).