2-(1-amino-3-methylsulfanylpropyl)-N-(9H-fluoren-9-yl)-1,3-oxazole-4-carboxamide

C21H21N3O2S — CID 3674792

IUPAC2-(1-amino-3-methylsulfanylpropyl)-N-(9H-fluoren-9-yl)-1,3-oxazole-4-carboxamide
SMILESCSCCC(N)c1nc(C(=O)NC2c3ccccc3-c3ccccc32)co1
InChIInChI=1S/C21H21N3O2S/c1-27-11-10-17(22)21-23-18(12-26-21)20(25)24-19-15-8-4-2-6-13(15)14-7-3-5-9-16(14)19/h2-9,12,17,19H,10-11,22H2,1H3,(H,24,25)
InChIKeyXGIYIPQAMSZEOT-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.93
Rot. Bonds6

About 2-(1-amino-3-methylsulfanylpropyl)-N-(9H-fluoren-9-yl)-1,3-oxazole-4-carboxamide

2-(1-amino-3-methylsulfanylpropyl)-N-(9H-fluoren-9-yl)-1,3-oxazole-4-carboxamide (PubChem CID 3674792) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-(1-amino-3-methylsulfanylpropyl)-N-(9H-fluoren-9-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-3-methylsulfanylpropyl)-N-(9H-fluoren-9-yl)-1,3-oxazole-4-carboxamide
PubChem CID3674792
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name2-(1-amino-3-methylsulfanylpropyl)-N-(9H-fluoren-9-yl)-1,3-oxazole-4-carboxamide
SMILESCSCCC(N)c1nc(C(=O)NC2c3ccccc3-c3ccccc32)co1
InChIInChI=1S/C21H21N3O2S/c1-27-11-10-17(22)21-23-18(12-26-21)20(25)24-19-15-8-4-2-6-13(15)14-7-3-5-9-16(14)19/h2-9,12,17,19H,10-11,22H2,1H3,(H,24,25)
InChIKeyXGIYIPQAMSZEOT-UHFFFAOYSA-N
XLogP3.93
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-amino-3-methylsulfanylpropyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 3388848
2-(1-amino-3-methylsulfanylpropyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 3388849
2-(1-amino-3-methylsulfanylpropyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 3813371
N-(9H-fluoren-9-yl)-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
CID 3692959
2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3825691
2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3270325
2-(1-amino-3-methylsulfanylpropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3710412
2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 5156440
N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3851641
[2-(1-amino-3-methylsulfanylpropyl)-1,3-oxazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 3863866
2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide
CID 5160787
ethyl 2-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate
CID 3836312

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylsulfanylpropyl)-N-(9H-fluoren-9-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-3-methylsulfanylpropyl)-N-(9H-fluoren-9-yl)-1,3-oxazole-4-carboxamide (CID 3674792) is 2-(1-amino-3-methylsulfanylpropyl)-N-(9H-fluoren-9-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-3-methylsulfanylpropyl)-N-(9H-fluoren-9-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-3-methylsulfanylpropyl)-N-(9H-fluoren-9-yl)-1,3-oxazole-4-carboxamide is CSCCC(N)c1nc(C(=O)NC2c3ccccc3-c3ccccc32)co1.
What is the InChIKey of 2-(1-amino-3-methylsulfanylpropyl)-N-(9H-fluoren-9-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is XGIYIPQAMSZEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-27-11-10-17(22)21-23-18(12-26-21)20(25)24-19-15-8-4-2-6-13(15)14-7-3-5-9-16(14)19/h2-9,12,17,19H,10-11,22H2,1H3,(H,24,25).
What are the key properties of 2-(1-amino-3-methylsulfanylpropyl)-N-(9H-fluoren-9-yl)-1,3-oxazole-4-carboxamide?
2-(1-amino-3-methylsulfanylpropyl)-N-(9H-fluoren-9-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylsulfanylpropyl)-N-(9H-fluoren-9-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3674792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).