3-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pentan-3-amine

C22H25ClN2O2 — CID 56526620

IUPAC3-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pentan-3-amine
SMILESCCC(CC)(NCc1ncc(-c2ccc(OC)cc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN2O2/c1-4-22(5-2,17-8-10-18(23)11-9-17)25-15-21-24-14-20(27-21)16-6-12-19(26-3)13-7-16/h6-14,25H,4-5,15H2,1-3H3
InChIKeyDVUPHLCNIMMYNH-UHFFFAOYSA-N
MW384.91 g/mol
LogP5.81
Rot. Bonds8

About 3-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pentan-3-amine

3-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pentan-3-amine (PubChem CID 56526620) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pentan-3-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pentan-3-amine
PubChem CID56526620
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name3-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pentan-3-amine
SMILESCCC(CC)(NCc1ncc(-c2ccc(OC)cc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN2O2/c1-4-22(5-2,17-8-10-18(23)11-9-17)25-15-21-24-14-20(27-21)16-6-12-19(26-3)13-7-16/h6-14,25H,4-5,15H2,1-3H3
InChIKeyDVUPHLCNIMMYNH-UHFFFAOYSA-N
XLogP5.81
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.91
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-Chlorophenyl)methyl]-2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-YL]methyl}sulfanyl)acetamide
CID 4175695
1-(5-(4-Methoxyphenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110705
8-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methyl-2-oxooctanamide
CID 44349697
2-[4-(1,3-oxazol-5-yl)phenoxy]-N-(4-phenylphenyl)acetamide
CID 117668598
5-(4-Methoxyphenyl)-2-phenyloxazole
CID 5325928
2-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 664467
2-methyl-N-[[6-[5-[4-(3-methylbut-2-enoxy)phenyl]-1,3-oxazol-2-yl]-3-pyridinyl]methyl]propan-1-amine
CID 137634648
2-(4-Methoxyphenyl)-5-phenyl-1,3-oxazole
CID 798929
6-(3-Chloro-phenyl)-5-methoxy-pyridine-2-carboxylic acid (1-methyl-1-oxazol-2-yl-ethyl)-amide
CID 71105587
2-Oxazolemethanamine, 5-(4-chlorophenyl)-N-ethyl-, monohydrochloride
CID 3049301
2,5-Bis(4-methoxyphenyl)oxazole
CID 13404049
2-Oxazolemethanamine, 5-(4-chlorophenyl)-N-propyl-, monohydrochloride
CID 3049285

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pentan-3-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pentan-3-amine (CID 56526620) is 3-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pentan-3-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pentan-3-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pentan-3-amine is CCC(CC)(NCc1ncc(-c2ccc(OC)cc2)o1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pentan-3-amine?
The InChIKey is DVUPHLCNIMMYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-4-22(5-2,17-8-10-18(23)11-9-17)25-15-21-24-14-20(27-21)16-6-12-19(26-3)13-7-16/h6-14,25H,4-5,15H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pentan-3-amine?
3-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pentan-3-amine has a molecular weight of 384.91 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pentan-3-amine is sourced from PubChem (CID 56526620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).