2-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propylacetamide

C21H29N3O4 — CID 42844069

IUPAC2-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propylacetamide
SMILESCCCN(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)COC
InChIInChI=1S/C21H29N3O4/c1-4-8-24(19(25)15-26-3)14-18-20(17-7-5-6-16(2)13-17)22-28-21(18)23-9-11-27-12-10-23/h5-7,13H,4,8-12,14-15H2,1-3H3
InChIKeyDNPUUTCHPOOKBN-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.87
Rot. Bonds8

About 2-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propylacetamide

2-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propylacetamide (PubChem CID 42844069) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propylacetamide.

Molecular Properties

Compound Name2-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propylacetamide
PubChem CID42844069
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name2-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propylacetamide
SMILESCCCN(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)COC
InChIInChI=1S/C21H29N3O4/c1-4-8-24(19(25)15-26-3)14-18-20(17-7-5-6-16(2)13-17)22-28-21(18)23-9-11-27-12-10-23/h5-7,13H,4,8-12,14-15H2,1-3H3
InChIKeyDNPUUTCHPOOKBN-UHFFFAOYSA-N
XLogP2.87
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propylbenzamide
CID 46028570
N-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]propanamide
CID 46028630
N-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 46028631
4-methyl-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46028612
N-[2-(dimethylamino)ethyl]-3-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 46153638
3-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide
CID 24718133
3-bromo-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46028620
3-bromo-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98169525
N-(furan-2-ylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]furan-2-carboxamide
CID 42844038
N-cyclopropyl-4-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 46028544
4-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide
CID 46028515
4-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93223098

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propylacetamide?
The IUPAC name of 2-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propylacetamide (CID 42844069) is 2-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propylacetamide.
What is the SMILES notation for 2-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propylacetamide?
The canonical SMILES for 2-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propylacetamide is CCCN(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)COC.
What is the InChIKey of 2-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propylacetamide?
The InChIKey is DNPUUTCHPOOKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-4-8-24(19(25)15-26-3)14-18-20(17-7-5-6-16(2)13-17)22-28-21(18)23-9-11-27-12-10-23/h5-7,13H,4,8-12,14-15H2,1-3H3.
What are the key properties of 2-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propylacetamide?
2-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propylacetamide has a molecular weight of 387.48 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propylacetamide is sourced from PubChem (CID 42844069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).