(2R,3S)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide

C19H18N2O5 — CID 97424099

IUPAC(2R,3S)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2C(C)C)no1
InChIInChI=1S/C19H18N2O5/c1-9(2)14-15-16(11-6-4-5-7-12(11)24-19(15)23)25-17(14)18(22)20-13-8-10(3)26-21-13/h4-9,14,17H,1-3H3,(H,20,21,22)/t14-,17+/m0/s1
InChIKeyDDYUCXKIBMJYAG-WMLDXEAASA-N
MW354.36 g/mol
LogP3.23
Rot. Bonds3

About (2R,3S)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide

(2R,3S)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide (PubChem CID 97424099) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is (2R,3S)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
PubChem CID97424099
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name(2R,3S)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2C(C)C)no1
InChIInChI=1S/C19H18N2O5/c1-9(2)14-15-16(11-6-4-5-7-12(11)24-19(15)23)25-17(14)18(22)20-13-8-10(3)26-21-13/h4-9,14,17H,1-3H3,(H,20,21,22)/t14-,17+/m0/s1
InChIKeyDDYUCXKIBMJYAG-WMLDXEAASA-N
XLogP3.23
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-4-oxo-N-phenyl-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424848
(2S,3S)-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97425258
(2S,3S)-3-(3-bromo-4,5-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 98085565
(2S,3R)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7246504
(2S,3R)-N-(4-methoxyphenyl)-4-oxo-3-(4-propan-2-ylphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97425547
N-(5-methyl-1,2-oxazol-3-yl)-3-oxobenzo[f]chromene-2-carboxamide
CID 19154798
(2S,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424428
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41105143
(2S,3R)-3-(4-hydroxy-3-methoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97425099
3-(1,3-benzodioxol-5-yl)-4-oxo-N-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 71827009
ethyl 3-(5-methylfuran-2-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 71754395
N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 50823341

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The IUPAC name of (2R,3S)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide (CID 97424099) is (2R,3S)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for (2R,3S)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The canonical SMILES for (2R,3S)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide is Cc1cc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2C(C)C)no1.
What is the InChIKey of (2R,3S)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The InChIKey is DDYUCXKIBMJYAG-WMLDXEAASA-N. The full InChI is InChI=1S/C19H18N2O5/c1-9(2)14-15-16(11-6-4-5-7-12(11)24-19(15)23)25-17(14)18(22)20-13-8-10(3)26-21-13/h4-9,14,17H,1-3H3,(H,20,21,22)/t14-,17+/m0/s1.
What are the key properties of (2R,3S)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
(2R,3S)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 97424099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).