2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide

C14H15Cl2N3O2 — CID 3832403

IUPAC2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCCC(N)c1nc(C(=O)NCc2ccc(Cl)c(Cl)c2)co1
InChIInChI=1S/C14H15Cl2N3O2/c1-2-11(17)14-19-12(7-21-14)13(20)18-6-8-3-4-9(15)10(16)5-8/h3-5,7,11H,2,6,17H2,1H3,(H,18,20)
InChIKeyKUFGWLMFUOWRHP-UHFFFAOYSA-N
MW328.20 g/mol
LogP3.32
Rot. Bonds5

About 2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide

2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 3832403) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID3832403
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCCC(N)c1nc(C(=O)NCc2ccc(Cl)c(Cl)c2)co1
InChIInChI=1S/C14H15Cl2N3O2/c1-2-11(17)14-19-12(7-21-14)13(20)18-6-8-3-4-9(15)10(16)5-8/h3-5,7,11H,2,6,17H2,1H3,(H,18,20)
InChIKeyKUFGWLMFUOWRHP-UHFFFAOYSA-N
XLogP3.32
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3833724
2-(1-amino-2-methylbutyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5100414
2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3840730
N-[(3,4-dichlorophenyl)methyl]-2-(2-methylbutyl)-1,3-oxazole-4-carboxamide
CID 153366538
2-(1-aminopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3292420
2-(1-aminopropyl)-N-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3807008
2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3796337
2-(1-amino-2-methylbutyl)-N-[(3-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3868304
2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3829499
2-(1-aminopropyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3813364
2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3825691
2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5237705

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide (CID 3832403) is 2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide is CCC(N)c1nc(C(=O)NCc2ccc(Cl)c(Cl)c2)co1.
What is the InChIKey of 2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is KUFGWLMFUOWRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c1-2-11(17)14-19-12(7-21-14)13(20)18-6-8-3-4-9(15)10(16)5-8/h3-5,7,11H,2,6,17H2,1H3,(H,18,20).
What are the key properties of 2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide?
2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 328.20 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3832403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).