(2R)-2-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C20H27N3O4 — CID 52510463

IUPAC(2R)-2-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCOc1ccccc1C1(CN[C@H](C)C(=O)Nc2cc(C)no2)CCOCC1
InChIInChI=1S/C20H27N3O4/c1-14-12-18(27-23-14)22-19(24)15(2)21-13-20(8-10-26-11-9-20)16-6-4-5-7-17(16)25-3/h4-7,12,15,21H,8-11,13H2,1-3H3,(H,22,24)/t15-/m1/s1
InChIKeyCLNFHWULXHNAES-OAHLLOKOSA-N
MW373.45 g/mol
LogP2.66
Rot. Bonds7

About (2R)-2-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

(2R)-2-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 52510463) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is (2R)-2-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID52510463
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name(2R)-2-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCOc1ccccc1C1(CN[C@H](C)C(=O)Nc2cc(C)no2)CCOCC1
InChIInChI=1S/C20H27N3O4/c1-14-12-18(27-23-14)22-19(24)15(2)21-13-20(8-10-26-11-9-20)16-6-4-5-7-17(16)25-3/h4-7,12,15,21H,8-11,13H2,1-3H3,(H,22,24)/t15-/m1/s1
InChIKeyCLNFHWULXHNAES-OAHLLOKOSA-N
XLogP2.66
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide with MolForge

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Related Compounds

(2S)-2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 52510327
2-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 86845463
(2R)-2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-N-(methylcarbamoyl)propanamide
CID 52503767
2-(2-methoxyphenyl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 60593777
3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449244
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]methanesulfonamide
CID 47388317
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propan-2-yloxybenzamide
CID 27449266
N'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 27452518
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334
3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449461
N'-(2,4-dimethylphenyl)-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 47697691
ethyl (2R)-2-[[4-(2-chlorophenyl)oxan-4-yl]methylamino]propanoate
CID 96549803

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of (2R)-2-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 52510463) is (2R)-2-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is COc1ccccc1C1(CN[C@H](C)C(=O)Nc2cc(C)no2)CCOCC1.
What is the InChIKey of (2R)-2-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is CLNFHWULXHNAES-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-14-12-18(27-23-14)22-19(24)15(2)21-13-20(8-10-26-11-9-20)16-6-4-5-7-17(16)25-3/h4-7,12,15,21H,8-11,13H2,1-3H3,(H,22,24)/t15-/m1/s1.
What are the key properties of (2R)-2-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
(2R)-2-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 373.45 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 52510463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).