(2R)-N-[2-[4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide

C26H29N3O6 — CID 42162249

IUPAC(2R)-N-[2-[4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide
SMILESCOc1ccc(OC)c(CC(=O)NCc2nc(-c3ccccc3NC(=O)[C@H]3CCCO3)oc2C)c1
InChIInChI=1S/C26H29N3O6/c1-16-21(15-27-24(30)14-17-13-18(32-2)10-11-22(17)33-3)29-26(35-16)19-7-4-5-8-20(19)28-25(31)23-9-6-12-34-23/h4-5,7-8,10-11,13,23H,6,9,12,14-15H2,1-3H3,(H,27,30)(H,28,31)/t23-/m1/s1
InChIKeyHHFVHTGWTJMUNN-HSZRJFAPSA-N
MW479.53 g/mol
LogP3.64
Rot. Bonds9

About (2R)-N-[2-[4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide

(2R)-N-[2-[4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide (PubChem CID 42162249) has the molecular formula C26H29N3O6 and a molecular weight of 479.53 g/mol. Its IUPAC name is (2R)-N-[2-[4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-[4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide
PubChem CID42162249
Molecular FormulaC26H29N3O6
Molecular Weight479.53 g/mol
Exact Mass479.21
IUPAC Name(2R)-N-[2-[4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide
SMILESCOc1ccc(OC)c(CC(=O)NCc2nc(-c3ccccc3NC(=O)[C@H]3CCCO3)oc2C)c1
InChIInChI=1S/C26H29N3O6/c1-16-21(15-27-24(30)14-17-13-18(32-2)10-11-22(17)33-3)29-26(35-16)19-7-4-5-8-20(19)28-25(31)23-9-6-12-34-23/h4-5,7-8,10-11,13,23H,6,9,12,14-15H2,1-3H3,(H,27,30)(H,28,31)/t23-/m1/s1
InChIKeyHHFVHTGWTJMUNN-HSZRJFAPSA-N
XLogP3.64
TPSA111.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-N-[2-[4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide with MolForge

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Related Compounds

N-[2-[5-methyl-4-[[(3-methylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide
CID 45165679
3,4,7-trimethyl-N-[[5-methyl-2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]-1,3-oxazol-4-yl]methyl]-1H-indole-2-carboxamide
CID 42397912
N-(2,4-dimethoxyphenyl)-2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356056
(2R)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 1250184
methyl 4-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methylamino]-4-oxobutanoate
CID 42455839
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110412894
2-(2,5-dimethoxyphenyl)-N-(2-phenylphenyl)acetamide
CID 78804018
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]oxolane-2-carboxamide
CID 17361713
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110421860
N-(6-methoxyquinolin-8-yl)oxolane-2-carboxamide
CID 110715523
N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]oxolane-2-carboxamide
CID 112983505
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]oxolane-2-carboxamide
CID 110319883

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[2-[4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide (CID 42162249) is (2R)-N-[2-[4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-[4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[2-[4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide is COc1ccc(OC)c(CC(=O)NCc2nc(-c3ccccc3NC(=O)[C@H]3CCCO3)oc2C)c1.
What is the InChIKey of (2R)-N-[2-[4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide?
The InChIKey is HHFVHTGWTJMUNN-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H29N3O6/c1-16-21(15-27-24(30)14-17-13-18(32-2)10-11-22(17)33-3)29-26(35-16)19-7-4-5-8-20(19)28-25(31)23-9-6-12-34-23/h4-5,7-8,10-11,13,23H,6,9,12,14-15H2,1-3H3,(H,27,30)(H,28,31)/t23-/m1/s1.
What are the key properties of (2R)-N-[2-[4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide?
(2R)-N-[2-[4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide has a molecular weight of 479.53 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 42162249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).