N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide

C28H35N3O3 — CID 39867348

IUPACN-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCOCC3)no2)cc1C
InChIInChI=1S/C28H35N3O3/c1-19-6-7-22(16-20(19)2)26-17-24(30-34-26)27(32)29-18-25(31-12-14-33-15-13-31)21-8-10-23(11-9-21)28(3,4)5/h6-11,16-17,25H,12-15,18H2,1-5H3,(H,29,32)/t25-/m0/s1
InChIKeyDCJIVRNLALAGQZ-VWLOTQADSA-N
MW461.61 g/mol
LogP5.06
Rot. Bonds6

About N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide

N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 39867348) has the molecular formula C28H35N3O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID39867348
Molecular FormulaC28H35N3O3
Molecular Weight461.61 g/mol
Exact Mass461.27
IUPAC NameN-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCOCC3)no2)cc1C
InChIInChI=1S/C28H35N3O3/c1-19-6-7-22(16-20(19)2)26-17-24(30-34-26)27(32)29-18-25(31-12-14-33-15-13-31)21-8-10-23(11-9-21)28(3,4)5/h6-11,16-17,25H,12-15,18H2,1-5H3,(H,29,32)/t25-/m0/s1
InChIKeyDCJIVRNLALAGQZ-VWLOTQADSA-N
XLogP5.06
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.61
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 39867354
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 39867171
N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
CID 39868162
N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
CID 139582697
5-(4-methoxyphenyl)-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 45132937
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
CID 50754403
N-[(2S)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]thiadiazole-4-carboxamide
CID 39730206
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
CID 45132925
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 43843501
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 50754305
5-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 45133034
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide (CID 39867348) is N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCOCC3)no2)cc1C.
What is the InChIKey of N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is DCJIVRNLALAGQZ-VWLOTQADSA-N. The full InChI is InChI=1S/C28H35N3O3/c1-19-6-7-22(16-20(19)2)26-17-24(30-34-26)27(32)29-18-25(31-12-14-33-15-13-31)21-8-10-23(11-9-21)28(3,4)5/h6-11,16-17,25H,12-15,18H2,1-5H3,(H,29,32)/t25-/m0/s1.
What are the key properties of N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide?
N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 461.61 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 39867348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).