N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide

C18H24N2O4 — CID 97006110

IUPACN-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)NC[C@@H](O)COCC(C)C)cc1
InChIInChI=1S/C18H24N2O4/c1-12(2)9-23-10-15(21)8-19-18(22)16-17(24-11-20-16)14-6-4-13(3)5-7-14/h4-7,11-12,15,21H,8-10H2,1-3H3,(H,19,22)/t15-/m1/s1
InChIKeyVGRFNDZITKHWKN-OAHLLOKOSA-N
MW332.40 g/mol
LogP2.41
Rot. Bonds8

About N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide

N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 97006110) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID97006110
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)NC[C@@H](O)COCC(C)C)cc1
InChIInChI=1S/C18H24N2O4/c1-12(2)9-23-10-15(21)8-19-18(22)16-17(24-11-20-16)14-6-4-13(3)5-7-14/h4-7,11-12,15,21H,8-10H2,1-3H3,(H,19,22)/t15-/m1/s1
InChIKeyVGRFNDZITKHWKN-OAHLLOKOSA-N
XLogP2.41
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 120651301
N-(3-hydroxy-4-methylpentyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 111463100
N-[2-(methylamino)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide;dihydrochloride
CID 119502119
N-[(2-hydroxycyclopentyl)methyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 111471045
5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 2739751
N-[2-hydroxy-3-(2-methylpropoxy)propyl]thiophene-3-carboxamide
CID 111662690
N-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide
CID 111697647
1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81355468
3-[methyl-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]amino]propanoic acid
CID 119232828
5-(3-methylphenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 20963716
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide
CID 111662905
2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid
CID 67884067

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide (CID 97006110) is N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1ccc(-c2ocnc2C(=O)NC[C@@H](O)COCC(C)C)cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is VGRFNDZITKHWKN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12(2)9-23-10-15(21)8-19-18(22)16-17(24-11-20-16)14-6-4-13(3)5-7-14/h4-7,11-12,15,21H,8-10H2,1-3H3,(H,19,22)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 97006110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).