2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide

C16H21N3O2 — CID 3788399

IUPAC2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2coc(C(N)C(C)C)n2)cc1
InChIInChI=1S/C16H21N3O2/c1-10(2)14(17)16-19-13(9-21-16)15(20)18-8-12-6-4-11(3)5-7-12/h4-7,9-10,14H,8,17H2,1-3H3,(H,18,20)
InChIKeyGDVWWBABSOVBSY-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.57
Rot. Bonds5

About 2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide

2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 3788399) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID3788399
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2coc(C(N)C(C)C)n2)cc1
InChIInChI=1S/C16H21N3O2/c1-10(2)14(17)16-19-13(9-21-16)15(20)18-8-12-6-4-11(3)5-7-12/h4-7,9-10,14H,8,17H2,1-3H3,(H,18,20)
InChIKeyGDVWWBABSOVBSY-UHFFFAOYSA-N
XLogP2.57
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-amino-2-hydroxypropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3780465
2-(1-amino-2-methylpropyl)-N-[(2-bromophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3836320
2-(1-amino-2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3857442
2-(1-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3801520
2-(1-amino-2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3841739
2-(1-amino-2-methylbutyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5100414
2-(1-amino-2-methylbutyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3809377
2-(1-amino-2-methylpropyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3839797
2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3840730
2-(1-amino-2-methylpropyl)-N-[2-(4-bromophenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide
CID 3839796
2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3796337
2-(1-amino-2-methylpropyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3828610

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide (CID 3788399) is 2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide is Cc1ccc(CNC(=O)c2coc(C(N)C(C)C)n2)cc1.
What is the InChIKey of 2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is GDVWWBABSOVBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(2)14(17)16-19-13(9-21-16)15(20)18-8-12-6-4-11(3)5-7-12/h4-7,9-10,14H,8,17H2,1-3H3,(H,18,20).
What are the key properties of 2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide?
2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3788399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).