2-amino-N-[(1R,2R)-2-[(2-oxo-1H-quinoline-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide

C23H19N5O4 — CID 167875497

IUPAC2-amino-N-[(1R,2R)-2-[(2-oxo-1H-quinoline-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide
SMILESNc1ncc(C(=O)N[C@@H]2c3ccccc3C[C@H]2NC(=O)c2cccc3[nH]c(=O)ccc23)o1
InChIInChI=1S/C23H19N5O4/c24-23-25-11-18(32-23)22(31)28-20-13-5-2-1-4-12(13)10-17(20)27-21(30)15-6-3-7-16-14(15)8-9-19(29)26-16/h1-9,11,17,20H,10H2,(H2,24,25)(H,26,29)(H,27,30)(H,28,31)/t17-,20-/m1/s1
InChIKeyZJKBPQVNSOGRCO-YLJYHZDGSA-N
MW429.44 g/mol
LogP1.92
Rot. Bonds4

About 2-amino-N-[(1R,2R)-2-[(2-oxo-1H-quinoline-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide

2-amino-N-[(1R,2R)-2-[(2-oxo-1H-quinoline-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide (PubChem CID 167875497) has the molecular formula C23H19N5O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is 2-amino-N-[(1R,2R)-2-[(2-oxo-1H-quinoline-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1R,2R)-2-[(2-oxo-1H-quinoline-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide
PubChem CID167875497
Molecular FormulaC23H19N5O4
Molecular Weight429.44 g/mol
Exact Mass429.14
IUPAC Name2-amino-N-[(1R,2R)-2-[(2-oxo-1H-quinoline-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide
SMILESNc1ncc(C(=O)N[C@@H]2c3ccccc3C[C@H]2NC(=O)c2cccc3[nH]c(=O)ccc23)o1
InChIInChI=1S/C23H19N5O4/c24-23-25-11-18(32-23)22(31)28-20-13-5-2-1-4-12(13)10-17(20)27-21(30)15-6-3-7-16-14(15)8-9-19(29)26-16/h1-9,11,17,20H,10H2,(H2,24,25)(H,26,29)(H,27,30)(H,28,31)/t17-,20-/m1/s1
InChIKeyZJKBPQVNSOGRCO-YLJYHZDGSA-N
XLogP1.92
TPSA143.11 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[(1R,2R)-2-[(2-oxo-1H-quinoline-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 72927897
4-oxo-N-[(1R,2R)-1-(prop-2-enoylamino)-2,3-dihydro-1H-inden-2-yl]chromene-2-carboxamide
CID 154870964
N-[(1R,2R)-1-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-1-benzothiophene-3-carboxamide
CID 154875780
2-amino-N-(1-benzhydrylazetidin-3-yl)-1,3-oxazole-5-carboxamide
CID 166386840
2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide
CID 114302135
N-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide
CID 61038006
3-[[(1R,2R)-2-[(2-chloro-4H-thieno[3,2-b]pyrrole-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]amino]-3-oxopropanoic acid
CID 91420446
5-acetyl-1H-quinolin-2-one
CID 13375477
2-oxo-N-[2-(5-phenyl-1,2-oxazole-4-carbonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl]-1H-quinoline-5-carboxamide
CID 167777959
2,3-difluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 62660008
2-chloro-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
CID 3398398
5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 114312742

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R,2R)-2-[(2-oxo-1H-quinoline-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-amino-N-[(1R,2R)-2-[(2-oxo-1H-quinoline-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide (CID 167875497) is 2-amino-N-[(1R,2R)-2-[(2-oxo-1H-quinoline-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(1R,2R)-2-[(2-oxo-1H-quinoline-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[(1R,2R)-2-[(2-oxo-1H-quinoline-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide is Nc1ncc(C(=O)N[C@@H]2c3ccccc3C[C@H]2NC(=O)c2cccc3[nH]c(=O)ccc23)o1.
What is the InChIKey of 2-amino-N-[(1R,2R)-2-[(2-oxo-1H-quinoline-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is ZJKBPQVNSOGRCO-YLJYHZDGSA-N. The full InChI is InChI=1S/C23H19N5O4/c24-23-25-11-18(32-23)22(31)28-20-13-5-2-1-4-12(13)10-17(20)27-21(30)15-6-3-7-16-14(15)8-9-19(29)26-16/h1-9,11,17,20H,10H2,(H2,24,25)(H,26,29)(H,27,30)(H,28,31)/t17-,20-/m1/s1.
What are the key properties of 2-amino-N-[(1R,2R)-2-[(2-oxo-1H-quinoline-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide?
2-amino-N-[(1R,2R)-2-[(2-oxo-1H-quinoline-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 1.92, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R,2R)-2-[(2-oxo-1H-quinoline-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 167875497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).