4-(2-amino-2-oxoethoxy)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide

C18H23N3O5 — CID 119140346

IUPAC4-(2-amino-2-oxoethoxy)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2ncc(C(C)(C)C)o2)ccc1OCC(N)=O
InChIInChI=1S/C18H23N3O5/c1-18(2,3)14-8-20-16(26-14)9-21-17(23)11-5-6-12(13(7-11)24-4)25-10-15(19)22/h5-8H,9-10H2,1-4H3,(H2,19,22)(H,21,23)
InChIKeyBLTNIJPIKJWUTM-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.77
Rot. Bonds7

About 4-(2-amino-2-oxoethoxy)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide (PubChem CID 119140346) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide
PubChem CID119140346
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2ncc(C(C)(C)C)o2)ccc1OCC(N)=O
InChIInChI=1S/C18H23N3O5/c1-18(2,3)14-8-20-16(26-14)9-21-17(23)11-5-6-12(13(7-11)24-4)25-10-15(19)22/h5-8H,9-10H2,1-4H3,(H2,19,22)(H,21,23)
InChIKeyBLTNIJPIKJWUTM-UHFFFAOYSA-N
XLogP1.77
TPSA116.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 87043417
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]-2-methylguanidine
CID 111595510
4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide
CID 119505377
4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride
CID 119505376
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-hydroxy-4-methoxybenzamide
CID 106372869
N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 6492243
4-(2-amino-2-oxoethoxy)-N-(2,2-diphenylethyl)-3-methoxybenzamide
CID 55415145
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 134012934
4-(2-amino-2-oxoethoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxybenzamide
CID 9081389
(2S)-2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]amino]propanoic acid
CID 119237902

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide (CID 119140346) is 4-(2-amino-2-oxoethoxy)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide is COc1cc(C(=O)NCc2ncc(C(C)(C)C)o2)ccc1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide?
The InChIKey is BLTNIJPIKJWUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-18(2,3)14-8-20-16(26-14)9-21-17(23)11-5-6-12(13(7-11)24-4)25-10-15(19)22/h5-8H,9-10H2,1-4H3,(H2,19,22)(H,21,23).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide has a molecular weight of 361.40 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 119140346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).