N-(2-amino-1-cyclopropylethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride

C18H25Cl2N3O2 — CID 119613032

IUPACN-(2-amino-1-cyclopropylethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)CCCc1ncc(-c2ccccc2)o1)C1CC1
InChIInChI=1S/C18H23N3O2.2ClH/c19-11-15(13-9-10-13)21-17(22)7-4-8-18-20-12-16(23-18)14-5-2-1-3-6-14;;/h1-3,5-6,12-13,15H,4,7-11,19H2,(H,21,22);2*1H
InChIKeyDFWCDXCPLKLTAG-UHFFFAOYSA-N
MW386.32 g/mol
LogP3.36
Rot. Bonds8

About N-(2-amino-1-cyclopropylethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride

N-(2-amino-1-cyclopropylethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride (PubChem CID 119613032) has the molecular formula C18H25Cl2N3O2 and a molecular weight of 386.32 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride
PubChem CID119613032
Molecular FormulaC18H25Cl2N3O2
Molecular Weight386.32 g/mol
Exact Mass385.13
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)CCCc1ncc(-c2ccccc2)o1)C1CC1
InChIInChI=1S/C18H23N3O2.2ClH/c19-11-15(13-9-10-13)21-17(22)7-4-8-18-20-12-16(23-18)14-5-2-1-3-6-14;;/h1-3,5-6,12-13,15H,4,7-11,19H2,(H,21,22);2*1H
InChIKeyDFWCDXCPLKLTAG-UHFFFAOYSA-N
XLogP3.36
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120505530
N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide
CID 65189008
N-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502
N-(2-amino-1-cyclopropylethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
CID 119614530
4-(5-phenyl-1,3-oxazol-2-yl)-N-(piperidin-3-ylmethyl)butanamide;dihydrochloride
CID 119460102
N-(2-hydroxypropyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 78873748
N-(2-methylpiperidin-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride
CID 120601511
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 41433405
4-(5-phenyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119533664
N-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 39703940
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
N-[2-(diethylamino)-2-phenylethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 55686875

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride (CID 119613032) is N-(2-amino-1-cyclopropylethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride is Cl.Cl.NCC(NC(=O)CCCc1ncc(-c2ccccc2)o1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride?
The InChIKey is DFWCDXCPLKLTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.2ClH/c19-11-15(13-9-10-13)21-17(22)7-4-8-18-20-12-16(23-18)14-5-2-1-3-6-14;;/h1-3,5-6,12-13,15H,4,7-11,19H2,(H,21,22);2*1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride?
N-(2-amino-1-cyclopropylethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride has a molecular weight of 386.32 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride is sourced from PubChem (CID 119613032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).