ethyl 3-[cyclopropylmethyl-[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate

C19H23FN2O4 — CID 95345309

IUPACethyl 3-[cyclopropylmethyl-[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate
SMILESCCOC(=O)CCN(CC1CC1)C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C19H23FN2O4/c1-2-25-18(23)8-9-22(12-13-6-7-13)19(24)17-11-16(21-26-17)14-4-3-5-15(20)10-14/h3-5,10,13,17H,2,6-9,11-12H2,1H3/t17-/m0/s1
InChIKeyQDPZWBIVRKCKAP-KRWDZBQOSA-N
MW362.40 g/mol
LogP2.51
Rot. Bonds8

About ethyl 3-[cyclopropylmethyl-[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate

ethyl 3-[cyclopropylmethyl-[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate (PubChem CID 95345309) has the molecular formula C19H23FN2O4 and a molecular weight of 362.40 g/mol. Its IUPAC name is ethyl 3-[cyclopropylmethyl-[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[cyclopropylmethyl-[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate
PubChem CID95345309
Molecular FormulaC19H23FN2O4
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Nameethyl 3-[cyclopropylmethyl-[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate
SMILESCCOC(=O)CCN(CC1CC1)C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C19H23FN2O4/c1-2-25-18(23)8-9-22(12-13-6-7-13)19(24)17-11-16(21-26-17)14-4-3-5-15(20)10-14/h3-5,10,13,17H,2,6-9,11-12H2,1H3/t17-/m0/s1
InChIKeyQDPZWBIVRKCKAP-KRWDZBQOSA-N
XLogP2.51
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[cyclopropylmethyl-[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate with MolForge

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Related Compounds

N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-propylcyclopropanecarboxamide
CID 42815958
3-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51089120
ethyl 3-[5-(3-fluorophenyl)-2-pyridinyl]-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 163398304
(5S)-3-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 94658216
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 56572528
N-ethyl-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methoxyacetamide
CID 24712066
(5S)-3-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 52534801
methyl 3-[benzyl-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoate
CID 55668286
N-ethyl-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,3-dimethylbutanamide
CID 42815934
3-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 56564506
N-(3,4-diethoxyphenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46436237
N-benzyl-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide
CID 46137877

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[cyclopropylmethyl-[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate?
The IUPAC name of ethyl 3-[cyclopropylmethyl-[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate (CID 95345309) is ethyl 3-[cyclopropylmethyl-[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[cyclopropylmethyl-[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 3-[cyclopropylmethyl-[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate is CCOC(=O)CCN(CC1CC1)C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1.
What is the InChIKey of ethyl 3-[cyclopropylmethyl-[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate?
The InChIKey is QDPZWBIVRKCKAP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23FN2O4/c1-2-25-18(23)8-9-22(12-13-6-7-13)19(24)17-11-16(21-26-17)14-4-3-5-15(20)10-14/h3-5,10,13,17H,2,6-9,11-12H2,1H3/t17-/m0/s1.
What are the key properties of ethyl 3-[cyclopropylmethyl-[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate?
ethyl 3-[cyclopropylmethyl-[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate has a molecular weight of 362.40 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[cyclopropylmethyl-[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate is sourced from PubChem (CID 95345309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).