N-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]adamantane-1-carboxamide

C24H29N3O3 — CID 55864813

IUPACN-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)CNC(=O)C34CC5CC(CC(C5)C3)C4)c2)oc1C
InChIInChI=1S/C24H29N3O3/c1-14-15(2)30-22(26-14)19-4-3-5-20(9-19)27-21(28)13-25-23(29)24-10-16-6-17(11-24)8-18(7-16)12-24/h3-5,9,16-18H,6-8,10-13H2,1-2H3,(H,25,29)(H,27,28)
InChIKeyQNBJFTGGJDPJLH-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.23
Rot. Bonds5

About N-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 55864813) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID55864813
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)CNC(=O)C34CC5CC(CC(C5)C3)C4)c2)oc1C
InChIInChI=1S/C24H29N3O3/c1-14-15(2)30-22(26-14)19-4-3-5-20(9-19)27-21(28)13-25-23(29)24-10-16-6-17(11-24)8-18(7-16)12-24/h3-5,9,16-18H,6-8,10-13H2,1-2H3,(H,25,29)(H,27,28)
InChIKeyQNBJFTGGJDPJLH-UHFFFAOYSA-N
XLogP4.23
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]acetamide
CID 119742581
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]adamantane-1-carboxamide
CID 38044635
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]adamantane-1-carboxamide
CID 4270022
N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(methylamino)butanamide
CID 119742561
1-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 119299864
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylpropyl)urea
CID 60577786
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111636887
2-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-methylpentanamide;hydrochloride
CID 119742600
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]urea
CID 95635616
1-[[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102191
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 34328308
N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 18107080

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]adamantane-1-carboxamide (CID 55864813) is N-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]adamantane-1-carboxamide is Cc1nc(-c2cccc(NC(=O)CNC(=O)C34CC5CC(CC(C5)C3)C4)c2)oc1C.
What is the InChIKey of N-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is QNBJFTGGJDPJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-14-15(2)30-22(26-14)19-4-3-5-20(9-19)27-21(28)13-25-23(29)24-10-16-6-17(11-24)8-18(7-16)12-24/h3-5,9,16-18H,6-8,10-13H2,1-2H3,(H,25,29)(H,27,28).
What are the key properties of N-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 55864813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).