N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(ethylamino)benzamide

C16H21N3O2 — CID 79231664

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(ethylamino)benzamide
SMILESCCNc1ccc(C(=O)NC(C)c2c(C)noc2C)cc1
InChIInChI=1S/C16H21N3O2/c1-5-17-14-8-6-13(7-9-14)16(20)18-10(2)15-11(3)19-21-12(15)4/h6-10,17H,5H2,1-4H3,(H,18,20)
InChIKeyPRKSHCJHXISJHX-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.21
Rot. Bonds5

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(ethylamino)benzamide

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(ethylamino)benzamide (PubChem CID 79231664) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(ethylamino)benzamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(ethylamino)benzamide
PubChem CID79231664
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(ethylamino)benzamide
SMILESCCNc1ccc(C(=O)NC(C)c2c(C)noc2C)cc1
InChIInChI=1S/C16H21N3O2/c1-5-17-14-8-6-13(7-9-14)16(20)18-10(2)15-11(3)19-21-12(15)4/h6-10,17H,5H2,1-4H3,(H,18,20)
InChIKeyPRKSHCJHXISJHX-UHFFFAOYSA-N
XLogP3.21
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]benzoic acid
CID 79230846
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-sulfanylbenzamide
CID 107032009
3-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzamide
CID 79465552
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluoro-3-methylbenzamide
CID 78961178
3-bromo-4-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 103842001
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-iodobenzamide
CID 78961175
3-bromo-5-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 103826943
4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybenzamide
CID 104783070
4-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzamide
CID 62169194
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-hydroxypyridine-3-carboxamide
CID 78961509
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-sulfanylbenzamide
CID 107032001
6-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-2-carboxamide
CID 79238480

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(ethylamino)benzamide?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(ethylamino)benzamide (CID 79231664) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(ethylamino)benzamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(ethylamino)benzamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(ethylamino)benzamide is CCNc1ccc(C(=O)NC(C)c2c(C)noc2C)cc1.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(ethylamino)benzamide?
The InChIKey is PRKSHCJHXISJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-17-14-8-6-13(7-9-14)16(20)18-10(2)15-11(3)19-21-12(15)4/h6-10,17H,5H2,1-4H3,(H,18,20).
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(ethylamino)benzamide?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(ethylamino)benzamide has a molecular weight of 287.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(ethylamino)benzamide is sourced from PubChem (CID 79231664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).