N-(2-methoxyethyl)-N-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide

C16H17N3O4 — CID 97446393

IUPACN-(2-methoxyethyl)-N-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESCOCCN(C)C(=O)c1ccc2onc(-c3coc(C)n3)c2c1
InChIInChI=1S/C16H17N3O4/c1-10-17-13(9-22-10)15-12-8-11(4-5-14(12)23-18-15)16(20)19(2)6-7-21-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyZHJXDTOGNLDDCX-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.51
Rot. Bonds5

About N-(2-methoxyethyl)-N-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide

N-(2-methoxyethyl)-N-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide (PubChem CID 97446393) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
PubChem CID97446393
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-(2-methoxyethyl)-N-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESCOCCN(C)C(=O)c1ccc2onc(-c3coc(C)n3)c2c1
InChIInChI=1S/C16H17N3O4/c1-10-17-13(9-22-10)15-12-8-11(4-5-14(12)23-18-15)16(20)19(2)6-7-21-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyZHJXDTOGNLDDCX-UHFFFAOYSA-N
XLogP2.51
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-Dimethyl-2-[4-[5-(3-methylisoxazol-5-yl)pentoxy]phenyl]oxazole
CID 515337
N-[1-(3-isoxazolyl)ethyl]-2-(4-methoxybenzyl)-N-methyl-1,3-benzoxazole-6-carboxamide
CID 24790227
3-[1-[3-[4-(1,3-Benzoxazol-2-yl)-2-methylphenoxy]propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196377
3-[1-[4-[4-(1,3-Benzoxazol-2-yl)phenoxy]butyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196382
N,3,5-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 24790522
(1-Isoxazol-3-ylethyl){[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}methylamine
CID 16192044
5-[5-(2-Ethyl-6-methyl-4-oxazol-2-yl-phenoxy)pentyl]-3-methyl-isoxazole
CID 5273096
1-(3-ethylisoxazol-5-yl)-N-{[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methylmethanamine
CID 56917718
N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97407378
3-(2-ethyl-1,3-oxazol-4-yl)-N-(2-methoxyethyl)-N-methyl-1,2-benzoxazole-5-carboxamide
CID 97446405
3-(2-methyl-1,3-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97526234
N-[2-(dimethylamino)ethyl]-3-(2-ethyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97526244

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide (CID 97446393) is N-(2-methoxyethyl)-N-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide is COCCN(C)C(=O)c1ccc2onc(-c3coc(C)n3)c2c1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The InChIKey is ZHJXDTOGNLDDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-10-17-13(9-22-10)15-12-8-11(4-5-14(12)23-18-15)16(20)19(2)6-7-21-3/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
N-(2-methoxyethyl)-N-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97446393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).