(2R)-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide

C15H18N4O3 — CID 129345291

IUPAC(2R)-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCc1ccc2c(c1)CC[C@H](C(=O)NCCc1nc(N)no1)O2
InChIInChI=1S/C15H18N4O3/c1-9-2-4-11-10(8-9)3-5-12(21-11)14(20)17-7-6-13-18-15(16)19-22-13/h2,4,8,12H,3,5-7H2,1H3,(H2,16,19)(H,17,20)/t12-/m1/s1
InChIKeyKXOBGCFUWCTLGL-GFCCVEGCSA-N
MW302.33 g/mol
LogP1.01
Rot. Bonds4

About (2R)-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide

(2R)-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 129345291) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2R)-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID129345291
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name(2R)-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCc1ccc2c(c1)CC[C@H](C(=O)NCCc1nc(N)no1)O2
InChIInChI=1S/C15H18N4O3/c1-9-2-4-11-10(8-9)3-5-12(21-11)14(20)17-7-6-13-18-15(16)19-22-13/h2,4,8,12H,3,5-7H2,1H3,(H2,16,19)(H,17,20)/t12-/m1/s1
InChIKeyKXOBGCFUWCTLGL-GFCCVEGCSA-N
XLogP1.01
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of (2R)-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide (CID 129345291) is (2R)-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide is Cc1ccc2c(c1)CC[C@H](C(=O)NCCc1nc(N)no1)O2.
What is the InChIKey of (2R)-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is KXOBGCFUWCTLGL-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-9-2-4-11-10(8-9)3-5-12(21-11)14(20)17-7-6-13-18-15(16)19-22-13/h2,4,8,12H,3,5-7H2,1H3,(H2,16,19)(H,17,20)/t12-/m1/s1.
What are the key properties of (2R)-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
(2R)-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 129345291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).