N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide

C19H23N3O6 — CID 3957598

IUPACN-(cyclopropylmethyl)-3,4,5-trimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)N(CC(=O)Nc2ccon2)CC2CC2)cc(OC)c1OC
InChIInChI=1S/C19H23N3O6/c1-25-14-8-13(9-15(26-2)18(14)27-3)19(24)22(10-12-4-5-12)11-17(23)20-16-6-7-28-21-16/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,21,23)
InChIKeyMBOYLJZXCKGCPK-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.19
Rot. Bonds9

About N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide

N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide (PubChem CID 3957598) has the molecular formula C19H23N3O6 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3,4,5-trimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
PubChem CID3957598
Molecular FormulaC19H23N3O6
Molecular Weight389.41 g/mol
Exact Mass389.16
IUPAC NameN-(cyclopropylmethyl)-3,4,5-trimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)N(CC(=O)Nc2ccon2)CC2CC2)cc(OC)c1OC
InChIInChI=1S/C19H23N3O6/c1-25-14-8-13(9-15(26-2)18(14)27-3)19(24)22(10-12-4-5-12)11-17(23)20-16-6-7-28-21-16/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,21,23)
InChIKeyMBOYLJZXCKGCPK-UHFFFAOYSA-N
XLogP2.19
TPSA103.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(cyclopropylmethyl)-3,5-difluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 808496
2-[cyclopropylmethyl(dimethylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 814669
2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7218439
N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-propylbenzamide
CID 78785886
2-[cyclohexylmethyl(ethylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 5054889
N-(cyclopropylmethyl)-2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 814632
2-chloro-N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 42771670
N-(cyclohexylmethyl)-3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4123267
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide
CID 4163444
2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylbenzamide
CID 42770937
N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 3517609
2-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 4230560

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide (CID 3957598) is N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide is COc1cc(C(=O)N(CC(=O)Nc2ccon2)CC2CC2)cc(OC)c1OC.
What is the InChIKey of N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The InChIKey is MBOYLJZXCKGCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6/c1-25-14-8-13(9-15(26-2)18(14)27-3)19(24)22(10-12-4-5-12)11-17(23)20-16-6-7-28-21-16/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,21,23).
What are the key properties of N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide has a molecular weight of 389.41 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 3957598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).