(2S)-2-(2-cyanophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide

C16H17N3O3 — CID 38303758

IUPAC(2S)-2-(2-cyanophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
SMILESCc1cc(CN(C)C(=O)[C@H](C)Oc2ccccc2C#N)no1
InChIInChI=1S/C16H17N3O3/c1-11-8-14(18-22-11)10-19(3)16(20)12(2)21-15-7-5-4-6-13(15)9-17/h4-8,12H,10H2,1-3H3/t12-/m0/s1
InChIKeyINGXTPSLEAMIDS-LBPRGKRZSA-N
MW299.33 g/mol
LogP2.28
Rot. Bonds5

About (2S)-2-(2-cyanophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide

(2S)-2-(2-cyanophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide (PubChem CID 38303758) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2S)-2-(2-cyanophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-cyanophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
PubChem CID38303758
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name(2S)-2-(2-cyanophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
SMILESCc1cc(CN(C)C(=O)[C@H](C)Oc2ccccc2C#N)no1
InChIInChI=1S/C16H17N3O3/c1-11-8-14(18-22-11)10-19(3)16(20)12(2)21-15-7-5-4-6-13(15)9-17/h4-8,12H,10H2,1-3H3/t12-/m0/s1
InChIKeyINGXTPSLEAMIDS-LBPRGKRZSA-N
XLogP2.28
TPSA79.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyanophenoxy)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 46546464
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 87016497
methyl 2-[2-(2-cyanophenoxy)propanoyl-methylamino]acetate
CID 43423964
2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588863
2-(2-cyanophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43576582
3-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 87003197
methyl 2-[2-(2-cyanophenoxy)propanoyl-propan-2-ylamino]acetate
CID 78884771
2-amino-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pentanamide;hydrochloride
CID 119729325
4-fluoro-N-[3-methyl-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1-oxobutan-2-yl]benzamide
CID 86929167
4-(difluoromethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 86929112
2-[2-(2-cyanophenoxy)propanoyl-(oxan-4-yl)amino]acetic acid
CID 119211409
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-cyanophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide?
The IUPAC name of (2S)-2-(2-cyanophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide (CID 38303758) is (2S)-2-(2-cyanophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(2-cyanophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-(2-cyanophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide is Cc1cc(CN(C)C(=O)[C@H](C)Oc2ccccc2C#N)no1.
What is the InChIKey of (2S)-2-(2-cyanophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide?
The InChIKey is INGXTPSLEAMIDS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-8-14(18-22-11)10-19(3)16(20)12(2)21-15-7-5-4-6-13(15)9-17/h4-8,12H,10H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-2-(2-cyanophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide?
(2S)-2-(2-cyanophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide has a molecular weight of 299.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-cyanophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide is sourced from PubChem (CID 38303758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).