5-[[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]carbamoylamino]methyl]-N,N-dimethylfuran-2-carboxamide

C19H22N4O5 — CID 97453394

IUPAC5-[[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]carbamoylamino]methyl]-N,N-dimethylfuran-2-carboxamide
SMILESC[C@H]1Oc2cc(NC(=O)NCc3ccc(C(=O)N(C)C)o3)ccc2N(C)C1=O
InChIInChI=1S/C19H22N4O5/c1-11-17(24)23(4)14-7-5-12(9-16(14)27-11)21-19(26)20-10-13-6-8-15(28-13)18(25)22(2)3/h5-9,11H,10H2,1-4H3,(H2,20,21,26)/t11-/m1/s1
InChIKeyODAXRVFTTGVYIQ-LLVKDONJSA-N
MW386.41 g/mol
LogP2.05
Rot. Bonds4

About 5-[[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]carbamoylamino]methyl]-N,N-dimethylfuran-2-carboxamide

5-[[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]carbamoylamino]methyl]-N,N-dimethylfuran-2-carboxamide (PubChem CID 97453394) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is 5-[[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]carbamoylamino]methyl]-N,N-dimethylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]carbamoylamino]methyl]-N,N-dimethylfuran-2-carboxamide
PubChem CID97453394
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Name5-[[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]carbamoylamino]methyl]-N,N-dimethylfuran-2-carboxamide
SMILESC[C@H]1Oc2cc(NC(=O)NCc3ccc(C(=O)N(C)C)o3)ccc2N(C)C1=O
InChIInChI=1S/C19H22N4O5/c1-11-17(24)23(4)14-7-5-12(9-16(14)27-11)21-19(26)20-10-13-6-8-15(28-13)18(25)22(2)3/h5-9,11H,10H2,1-4H3,(H2,20,21,26)/t11-/m1/s1
InChIKeyODAXRVFTTGVYIQ-LLVKDONJSA-N
XLogP2.05
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]-3-[2-(5-methylthiophen-2-yl)ethyl]urea
CID 97455487
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CID 97456770
1-[(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3-(2-methylsulfonylethyl)urea
CID 126450495
3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-methylpropanoic acid
CID 116995010
N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]acetamide
CID 110783694
7-(2,3-dihydroxypropylamino)-2,4-dimethyl-1,4-benzoxazin-3-one
CID 168597333
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]-1-methylurea
CID 97273570
1-[(4-fluorophenyl)methyl]-3-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)urea
CID 30377298
2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride
CID 154915922
2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 131895985
1-[2-(2,3-dihydroindol-1-yl)ethyl]-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)urea
CID 72901459
1-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)cyclopentane-1-carboxamide
CID 131904163

Frequently Asked Questions

What is the IUPAC name of 5-[[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]carbamoylamino]methyl]-N,N-dimethylfuran-2-carboxamide?
The IUPAC name of 5-[[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]carbamoylamino]methyl]-N,N-dimethylfuran-2-carboxamide (CID 97453394) is 5-[[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]carbamoylamino]methyl]-N,N-dimethylfuran-2-carboxamide.
What is the SMILES notation for 5-[[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]carbamoylamino]methyl]-N,N-dimethylfuran-2-carboxamide?
The canonical SMILES for 5-[[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]carbamoylamino]methyl]-N,N-dimethylfuran-2-carboxamide is C[C@H]1Oc2cc(NC(=O)NCc3ccc(C(=O)N(C)C)o3)ccc2N(C)C1=O.
What is the InChIKey of 5-[[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]carbamoylamino]methyl]-N,N-dimethylfuran-2-carboxamide?
The InChIKey is ODAXRVFTTGVYIQ-LLVKDONJSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-11-17(24)23(4)14-7-5-12(9-16(14)27-11)21-19(26)20-10-13-6-8-15(28-13)18(25)22(2)3/h5-9,11H,10H2,1-4H3,(H2,20,21,26)/t11-/m1/s1.
What are the key properties of 5-[[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]carbamoylamino]methyl]-N,N-dimethylfuran-2-carboxamide?
5-[[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]carbamoylamino]methyl]-N,N-dimethylfuran-2-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]carbamoylamino]methyl]-N,N-dimethylfuran-2-carboxamide is sourced from PubChem (CID 97453394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).