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

C19H17N3O2 — CID 3692959

IUPACN-(9H-fluoren-9-yl)-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
SMILESCNCc1nc(C(=O)NC2c3ccccc3-c3ccccc32)co1
InChIInChI=1S/C19H17N3O2/c1-20-10-17-21-16(11-24-17)19(23)22-18-14-8-4-2-6-12(14)13-7-3-5-9-15(13)18/h2-9,11,18,20H,10H2,1H3,(H,22,23)
InChIKeyAPIQAVSOQYZSOV-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.89
Rot. Bonds4

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

N-(9H-fluoren-9-yl)-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide (PubChem CID 3692959) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(9H-fluoren-9-yl)-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(9H-fluoren-9-yl)-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
PubChem CID3692959
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-(9H-fluoren-9-yl)-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
SMILESCNCc1nc(C(=O)NC2c3ccccc3-c3ccccc32)co1
InChIInChI=1S/C19H17N3O2/c1-20-10-17-21-16(11-24-17)19(23)22-18-14-8-4-2-6-12(14)13-7-3-5-9-15(13)18/h2-9,11,18,20H,10H2,1H3,(H,22,23)
InChIKeyAPIQAVSOQYZSOV-UHFFFAOYSA-N
XLogP2.89
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-amino-3-methylsulfanylpropyl)-N-(9H-fluoren-9-yl)-1,3-oxazole-4-carboxamide
CID 3674792
N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3851641
2-(methylaminomethyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3671198
2-(methylaminomethyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 3549380
2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3868845
N-[(4-fluorophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
CID 3813359
2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3804725
N-[(3-bromophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
CID 3501172
ethyl 3-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]butanoate
CID 3839253
methyl 3-(4-chlorophenyl)-2-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]propanoate
CID 3682689
2-(methylaminomethyl)-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]-1,3-oxazole-4-carboxamide
CID 3868853
methyl 2-[(2-benzyl-1,3-oxazole-4-carbonyl)amino]-3-methylbut-2-enoate
CID 171983521

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-9-yl)-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(9H-fluoren-9-yl)-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide (CID 3692959) is N-(9H-fluoren-9-yl)-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(9H-fluoren-9-yl)-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(9H-fluoren-9-yl)-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide is CNCc1nc(C(=O)NC2c3ccccc3-c3ccccc32)co1.
What is the InChIKey of N-(9H-fluoren-9-yl)-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is APIQAVSOQYZSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-20-10-17-21-16(11-24-17)19(23)22-18-14-8-4-2-6-12(14)13-7-3-5-9-15(13)18/h2-9,11,18,20H,10H2,1H3,(H,22,23).
What are the key properties of N-(9H-fluoren-9-yl)-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide?
N-(9H-fluoren-9-yl)-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-9-yl)-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3692959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).