N-(5-tert-butyl-1,2-oxazol-3-yl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

C18H22N2O4 — CID 156586272

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)Nc1cc(C(C)(C)C)on1)C2
InChIInChI=1S/C18H22N2O4/c1-18(2,3)14-9-15(20-24-14)19-17(21)12-8-11-6-5-7-13(22-4)16(11)23-10-12/h5-7,9,12H,8,10H2,1-4H3,(H,19,20,21)
InChIKeyQYESSWIZGGGJRG-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.17
Rot. Bonds3

About N-(5-tert-butyl-1,2-oxazol-3-yl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 156586272) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID156586272
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)Nc1cc(C(C)(C)C)on1)C2
InChIInChI=1S/C18H22N2O4/c1-18(2,3)14-9-15(20-24-14)19-17(21)12-8-11-6-5-7-13(22-4)16(11)23-10-12/h5-7,9,12H,8,10H2,1-4H3,(H,19,20,21)
InChIKeyQYESSWIZGGGJRG-UHFFFAOYSA-N
XLogP3.17
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638
8-methoxy-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 131889928
(3R)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97110056
N-(5-tert-butyl-1,2-oxazol-3-yl)-2,3-dimethoxybenzamide
CID 35281552
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 72917523
(3S)-8-methoxy-N-(2-propylsulfanylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97115385
8-methoxy-N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 131936486
8-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46958337
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 72863634
(3S)-8-methoxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 136861463
(3S)-8-methoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97136197
(3R)-8-methoxy-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97203250

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (CID 156586272) is N-(5-tert-butyl-1,2-oxazol-3-yl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is COc1cccc2c1OCC(C(=O)Nc1cc(C(C)(C)C)on1)C2.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is QYESSWIZGGGJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-18(2,3)14-9-15(20-24-14)19-17(21)12-8-11-6-5-7-13(22-4)16(11)23-10-12/h5-7,9,12H,8,10H2,1-4H3,(H,19,20,21).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 156586272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).