N-benzyl-N-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide

C19H27N3O2 — CID 53195201

IUPACN-benzyl-N-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(C(C)C)nc1C(=O)N(CCN(C)C)Cc1ccccc1
InChIInChI=1S/C19H27N3O2/c1-14(2)18-20-17(15(3)24-18)19(23)22(12-11-21(4)5)13-16-9-7-6-8-10-16/h6-10,14H,11-13H2,1-5H3
InChIKeyHBUPZRZZAXQQDS-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.31
Rot. Bonds7

About N-benzyl-N-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide

N-benzyl-N-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 53195201) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-benzyl-N-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID53195201
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-benzyl-N-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(C(C)C)nc1C(=O)N(CCN(C)C)Cc1ccccc1
InChIInChI=1S/C19H27N3O2/c1-14(2)18-20-17(15(3)24-18)19(23)22(12-11-21(4)5)13-16-9-7-6-8-10-16/h6-10,14H,11-13H2,1-5H3
InChIKeyHBUPZRZZAXQQDS-UHFFFAOYSA-N
XLogP3.31
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 78811482
2-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-6-methylquinazoline-4-carboxamide
CID 59483544
N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide
CID 60707749
(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572
N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 46273787
2-(azetidin-3-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]propanamide
CID 116676204
N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide
CID 54876796
4-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide
CID 63101974
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
CID 54869876
N-benzyl-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 60666282
N-benzyl-N-[2-(dimethylamino)ethyl]-4-pyrazol-1-ylbenzamide
CID 78811414
N-benzyl-N-[2-(dimethylamino)ethyl]imidazole-1-carboxamide
CID 81257866

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide (CID 53195201) is N-benzyl-N-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide is Cc1oc(C(C)C)nc1C(=O)N(CCN(C)C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is HBUPZRZZAXQQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)18-20-17(15(3)24-18)19(23)22(12-11-21(4)5)13-16-9-7-6-8-10-16/h6-10,14H,11-13H2,1-5H3.
What are the key properties of N-benzyl-N-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide?
N-benzyl-N-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).