N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide

C19H23N3O3 — CID 124850090

IUPACN-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide
SMILESCc1cc(COCC(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)on1
InChIInChI=1S/C19H23N3O3/c1-13-9-16(25-22-13)11-24-12-18(23)21-17(10-20)14-5-7-15(8-6-14)19(2,3)4/h5-9,17H,11-12H2,1-4H3,(H,21,23)/t17-/m0/s1
InChIKeyPYOQURDLNXHDNB-KRWDZBQOSA-N
MW341.41 g/mol
LogP3.18
Rot. Bonds6

About N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide

N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide (PubChem CID 124850090) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide
PubChem CID124850090
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide
SMILESCc1cc(COCC(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)on1
InChIInChI=1S/C19H23N3O3/c1-13-9-16(25-22-13)11-24-12-18(23)21-17(10-20)14-5-7-15(8-6-14)19(2,3)4/h5-9,17H,11-12H2,1-4H3,(H,21,23)/t17-/m0/s1
InChIKeyPYOQURDLNXHDNB-KRWDZBQOSA-N
XLogP3.18
TPSA88.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-ethoxyacetamide
CID 95172021
N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-3-[(S)-methylsulfinyl]propanamide
CID 97340334
2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide;hydrochloride
CID 66651040
N-[(4-tert-butylphenyl)-cyanomethyl]-2-(carbamoylamino)propanamide
CID 56803706
(3R)-N-[(S)-(4-tert-butylphenyl)-cyanomethyl]oxolane-3-carboxamide
CID 95617394
3-(4-tert-butylphenyl)-3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 119209956
N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 9246224
N-[cyano-(4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 122157704
1-(4-tert-butylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 49332395
(3-methyl-1,2-oxazol-5-yl)methyl 3-(carbamoylamino)-3-phenylpropanoate
CID 42933062
2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 120590598
2-[(4-tert-butylphenyl)methoxy]-N'-methylacetohydrazide
CID 116846699

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide?
The IUPAC name of N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide (CID 124850090) is N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide.
What is the SMILES notation for N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide?
The canonical SMILES for N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide is Cc1cc(COCC(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)on1.
What is the InChIKey of N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide?
The InChIKey is PYOQURDLNXHDNB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-9-16(25-22-13)11-24-12-18(23)21-17(10-20)14-5-7-15(8-6-14)19(2,3)4/h5-9,17H,11-12H2,1-4H3,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide?
N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide has a molecular weight of 341.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide is sourced from PubChem (CID 124850090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).