N-[[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide

C24H29N3O3 — CID 47729435

IUPACN-[[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)no1
InChIInChI=1S/C24H29N3O3/c1-15-6-21(27-30-15)14-25-22(28)20-4-2-16(3-5-20)13-26-23(29)24-10-17-7-18(11-24)9-19(8-17)12-24/h2-6,17-19H,7-14H2,1H3,(H,25,28)(H,26,29)
InChIKeyDUWKPAKTKYPWMH-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.75
Rot. Bonds6

About N-[[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide

N-[[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide (PubChem CID 47729435) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
PubChem CID47729435
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)no1
InChIInChI=1S/C24H29N3O3/c1-15-6-21(27-30-15)14-25-22(28)20-4-2-16(3-5-20)13-26-23(29)24-10-17-7-18(11-24)9-19(8-17)12-24/h2-6,17-19H,7-14H2,1H3,(H,25,28)(H,26,29)
InChIKeyDUWKPAKTKYPWMH-UHFFFAOYSA-N
XLogP3.75
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[2-(methylamino)ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide;hydrochloride
CID 119501131
N-[[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 46586709
N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide
CID 8572532
N-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 37018670
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide
CID 16866467
N-[[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 37424907
N-[[4-(2-phenylpropylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 46612410
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
CID 16866721
N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
CID 16867478
4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzamide
CID 47124661
N-[[4-[(adamantane-1-carbonylamino)carbamoyl]phenyl]methyl]acetamide
CID 18107557
3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79466321

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide (CID 47729435) is N-[[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide is Cc1cc(CNC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)no1.
What is the InChIKey of N-[[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide?
The InChIKey is DUWKPAKTKYPWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-15-6-21(27-30-15)14-25-22(28)20-4-2-16(3-5-20)13-26-23(29)24-10-17-7-18(11-24)9-19(8-17)12-24/h2-6,17-19H,7-14H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide?
N-[[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 47729435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).