7-methoxy-N-[2-oxo-2-(2H-tetrazol-5-ylamino)ethyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

C16H15N7O4 — CID 139676273

IUPAC7-methoxy-N-[2-oxo-2-(2H-tetrazol-5-ylamino)ethyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c(C(=O)NCC(=O)Nc3nn[nH]n3)noc1-2
InChIInChI=1S/C16H15N7O4/c1-26-9-3-5-10-8(6-9)2-4-11-13(21-27-14(10)11)15(25)17-7-12(24)18-16-19-22-23-20-16/h3,5-6H,2,4,7H2,1H3,(H,17,25)(H2,18,19,20,22,23,24)
InChIKeyBVUIHAVXTNHDBC-UHFFFAOYSA-N
MW369.34 g/mol
LogP0.33
Rot. Bonds5

About 7-methoxy-N-[2-oxo-2-(2H-tetrazol-5-ylamino)ethyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

7-methoxy-N-[2-oxo-2-(2H-tetrazol-5-ylamino)ethyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 139676273) has the molecular formula C16H15N7O4 and a molecular weight of 369.34 g/mol. Its IUPAC name is 7-methoxy-N-[2-oxo-2-(2H-tetrazol-5-ylamino)ethyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[2-oxo-2-(2H-tetrazol-5-ylamino)ethyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID139676273
Molecular FormulaC16H15N7O4
Molecular Weight369.34 g/mol
Exact Mass369.12
IUPAC Name7-methoxy-N-[2-oxo-2-(2H-tetrazol-5-ylamino)ethyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c(C(=O)NCC(=O)Nc3nn[nH]n3)noc1-2
InChIInChI=1S/C16H15N7O4/c1-26-9-3-5-10-8(6-9)2-4-11-13(21-27-14(10)11)15(25)17-7-12(24)18-16-19-22-23-20-16/h3,5-6H,2,4,7H2,1H3,(H,17,25)(H2,18,19,20,22,23,24)
InChIKeyBVUIHAVXTNHDBC-UHFFFAOYSA-N
XLogP0.33
TPSA147.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[2-oxo-2-(2H-tetrazol-5-ylamino)ethyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of 7-methoxy-N-[2-oxo-2-(2H-tetrazol-5-ylamino)ethyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (CID 139676273) is 7-methoxy-N-[2-oxo-2-(2H-tetrazol-5-ylamino)ethyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-[2-oxo-2-(2H-tetrazol-5-ylamino)ethyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for 7-methoxy-N-[2-oxo-2-(2H-tetrazol-5-ylamino)ethyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is COc1ccc2c(c1)CCc1c(C(=O)NCC(=O)Nc3nn[nH]n3)noc1-2.
What is the InChIKey of 7-methoxy-N-[2-oxo-2-(2H-tetrazol-5-ylamino)ethyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is BVUIHAVXTNHDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O4/c1-26-9-3-5-10-8(6-9)2-4-11-13(21-27-14(10)11)15(25)17-7-12(24)18-16-19-22-23-20-16/h3,5-6H,2,4,7H2,1H3,(H,17,25)(H2,18,19,20,22,23,24).
What are the key properties of 7-methoxy-N-[2-oxo-2-(2H-tetrazol-5-ylamino)ethyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
7-methoxy-N-[2-oxo-2-(2H-tetrazol-5-ylamino)ethyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 369.34 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[2-oxo-2-(2H-tetrazol-5-ylamino)ethyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 139676273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).