3-(2-aminoethoxy)-N,4-dimethyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzamide

C16H21N3O3 — CID 126452166

IUPAC3-(2-aminoethoxy)-N,4-dimethyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)N(C)[C@H](C)c2ccon2)cc1OCCN
InChIInChI=1S/C16H21N3O3/c1-11-4-5-13(10-15(11)21-9-7-17)16(20)19(3)12(2)14-6-8-22-18-14/h4-6,8,10,12H,7,9,17H2,1-3H3/t12-/m1/s1
InChIKeyKCZZXBRBZXSMAU-GFCCVEGCSA-N
MW303.36 g/mol
LogP2.15
Rot. Bonds6

About 3-(2-aminoethoxy)-N,4-dimethyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzamide

3-(2-aminoethoxy)-N,4-dimethyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzamide (PubChem CID 126452166) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N,4-dimethyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N,4-dimethyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzamide
PubChem CID126452166
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-(2-aminoethoxy)-N,4-dimethyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)N(C)[C@H](C)c2ccon2)cc1OCCN
InChIInChI=1S/C16H21N3O3/c1-11-4-5-13(10-15(11)21-9-7-17)16(20)19(3)12(2)14-6-8-22-18-14/h4-6,8,10,12H,7,9,17H2,1-3H3/t12-/m1/s1
InChIKeyKCZZXBRBZXSMAU-GFCCVEGCSA-N
XLogP2.15
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-aminoethoxy)-N,4-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 118793692
3-(cyclopentanecarbonylamino)-N,4-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 50980547
N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97209998
N-methyl-3-[(3-methylthiophen-2-yl)methylamino]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 50973272
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 45208387
N-methyl-4-[(5-methyltetrazol-1-yl)methyl]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 119068130
2-[(4-methoxyphenyl)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 24790227
2-anilino-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 72911581
5-[(4-methoxynaphthalen-1-yl)oxymethyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 45241731
3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]benzamide
CID 126433353
N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide
CID 61350677
N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
CID 119584915

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-N,4-dimethyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzamide?
The IUPAC name of 3-(2-aminoethoxy)-N,4-dimethyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzamide (CID 126452166) is 3-(2-aminoethoxy)-N,4-dimethyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-(2-aminoethoxy)-N,4-dimethyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-(2-aminoethoxy)-N,4-dimethyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzamide is Cc1ccc(C(=O)N(C)[C@H](C)c2ccon2)cc1OCCN.
What is the InChIKey of 3-(2-aminoethoxy)-N,4-dimethyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzamide?
The InChIKey is KCZZXBRBZXSMAU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-4-5-13(10-15(11)21-9-7-17)16(20)19(3)12(2)14-6-8-22-18-14/h4-6,8,10,12H,7,9,17H2,1-3H3/t12-/m1/s1.
What are the key properties of 3-(2-aminoethoxy)-N,4-dimethyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzamide?
3-(2-aminoethoxy)-N,4-dimethyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzamide has a molecular weight of 303.36 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N,4-dimethyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 126452166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).