2-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide

C20H29N3O3 — CID 42835084

IUPAC2-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(CN(Cc2nc(C(=O)NCC(C)C)co2)C(C)C)c1
InChIInChI=1S/C20H29N3O3/c1-14(2)10-21-20(24)18-13-26-19(22-18)12-23(15(3)4)11-16-7-6-8-17(9-16)25-5/h6-9,13-15H,10-12H2,1-5H3,(H,21,24)
InChIKeyLTUGIILMXNKHKE-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.48
Rot. Bonds9

About 2-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide

2-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide (PubChem CID 42835084) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
PubChem CID42835084
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(CN(Cc2nc(C(=O)NCC(C)C)co2)C(C)C)c1
InChIInChI=1S/C20H29N3O3/c1-14(2)10-21-20(24)18-13-26-19(22-18)12-23(15(3)4)11-16-7-6-8-17(9-16)25-5/h6-9,13-15H,10-12H2,1-5H3,(H,21,24)
InChIKeyLTUGIILMXNKHKE-UHFFFAOYSA-N
XLogP3.48
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42835092
N-[2-(dimethylamino)ethyl]-2-[[(3-methoxyphenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93155495
N-(2-methoxyethyl)-2-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide
CID 42835099
2-[[(3-methoxyphenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 93157177
2-[[bis[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 46147603
N-(2-methoxyethyl)-2-[[(3-phenoxyphenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93156712
N-(furan-2-ylmethyl)-2-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide
CID 42835100
2-[[(3,4-dichlorophenyl)methyl-(1-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 46002516
N-(1,3-benzodioxol-5-ylmethyl)-2-[[(2,5-dimethoxyphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide
CID 46002487
2-[[(4-tert-butylphenyl)methyl-(1-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 42831314
2-[[(3-phenoxyphenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 93156723
N-(2-methoxyethyl)-2-[[(3-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42834784

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide (CID 42835084) is 2-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide is COc1cccc(CN(Cc2nc(C(=O)NCC(C)C)co2)C(C)C)c1.
What is the InChIKey of 2-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is LTUGIILMXNKHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14(2)10-21-20(24)18-13-26-19(22-18)12-23(15(3)4)11-16-7-6-8-17(9-16)25-5/h6-9,13-15H,10-12H2,1-5H3,(H,21,24).
What are the key properties of 2-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
2-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42835084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).