N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(5-tert-butyl-1,3-oxazol-2-yl)propanamide

C18H28N2O2 — CID 100627632

IUPACN-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(5-tert-butyl-1,3-oxazol-2-yl)propanamide
SMILESCC(C)(C)c1cnc(CCC(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)o1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)15-11-20-17(22-15)7-6-16(21)19-10-14-9-12-4-5-13(14)8-12/h11-14H,4-10H2,1-3H3,(H,19,21)/t12-,13-,14-/m0/s1
InChIKeyQEHVEWHNXBHGBN-IHRRRGAJSA-N
MW304.43 g/mol
LogP3.46
Rot. Bonds5

About N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(5-tert-butyl-1,3-oxazol-2-yl)propanamide

N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(5-tert-butyl-1,3-oxazol-2-yl)propanamide (PubChem CID 100627632) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(5-tert-butyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(5-tert-butyl-1,3-oxazol-2-yl)propanamide
PubChem CID100627632
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(5-tert-butyl-1,3-oxazol-2-yl)propanamide
SMILESCC(C)(C)c1cnc(CCC(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)o1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)15-11-20-17(22-15)7-6-16(21)19-10-14-9-12-4-5-13(14)8-12/h11-14H,4-10H2,1-3H3,(H,19,21)/t12-,13-,14-/m0/s1
InChIKeyQEHVEWHNXBHGBN-IHRRRGAJSA-N
XLogP3.46
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65299667
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-oxobutanamide
CID 98153784
3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide
CID 100752845
3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[(E)-3-phenylprop-2-enyl]propanamide
CID 99839399
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-4-ylpropanamide
CID 63682104
2-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl-cyclopropylamino]propanoic acid
CID 122067483
4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673692
4-[3-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3-oxopropyl]benzoic acid
CID 119185478
2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-oxoethoxy]acetic acid
CID 63683448
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275478
5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylpyridine-3-carboxamide
CID 63687718
3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]propanamide
CID 86800820

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(5-tert-butyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(5-tert-butyl-1,3-oxazol-2-yl)propanamide (CID 100627632) is N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(5-tert-butyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(5-tert-butyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(5-tert-butyl-1,3-oxazol-2-yl)propanamide is CC(C)(C)c1cnc(CCC(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)o1.
What is the InChIKey of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(5-tert-butyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is QEHVEWHNXBHGBN-IHRRRGAJSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(2,3)15-11-20-17(22-15)7-6-16(21)19-10-14-9-12-4-5-13(14)8-12/h11-14H,4-10H2,1-3H3,(H,19,21)/t12-,13-,14-/m0/s1.
What are the key properties of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(5-tert-butyl-1,3-oxazol-2-yl)propanamide?
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(5-tert-butyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 304.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(5-tert-butyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 100627632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).