N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide

C18H21Cl2N3O2 — CID 119573335

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(CN)(NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C1CC1
InChIInChI=1S/C18H21Cl2N3O2/c1-18(10-21,11-2-3-11)23-16(24)6-7-17-22-9-15(25-17)13-5-4-12(19)8-14(13)20/h4-5,8-9,11H,2-3,6-7,10,21H2,1H3,(H,23,24)
InChIKeyBJTIANBKPNPVIV-UHFFFAOYSA-N
MW382.29 g/mol
LogP3.82
Rot. Bonds7

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide

N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 119573335) has the molecular formula C18H21Cl2N3O2 and a molecular weight of 382.29 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID119573335
Molecular FormulaC18H21Cl2N3O2
Molecular Weight382.29 g/mol
Exact Mass381.10
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(CN)(NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C1CC1
InChIInChI=1S/C18H21Cl2N3O2/c1-18(10-21,11-2-3-11)23-16(24)6-7-17-22-9-15(25-17)13-5-4-12(19)8-14(13)20/h4-5,8-9,11H,2-3,6-7,10,21H2,1H3,(H,23,24)
InChIKeyBJTIANBKPNPVIV-UHFFFAOYSA-N
XLogP3.82
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103637
N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590165
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
CID 119574900
N-[(4-chlorophenyl)methyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590238
N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 42931318
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide
CID 51312308
2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]acetic acid
CID 119136390
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2-oxoazepan-3-yl)propanamide
CID 55683652
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 16591104
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 17444318
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride
CID 120653572
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119489324

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide (CID 119573335) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide is CC(CN)(NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is BJTIANBKPNPVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O2/c1-18(10-21,11-2-3-11)23-16(24)6-7-17-22-9-15(25-17)13-5-4-12(19)8-14(13)20/h4-5,8-9,11H,2-3,6-7,10,21H2,1H3,(H,23,24).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 382.29 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 119573335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).