ethyl 2-[[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-5-methyl-1,3-oxazole-4-carboxylate

C17H18N2O5 — CID 124623424

IUPACethyl 2-[[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-5-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(NC(=O)[C@@H]2COc3ccccc3C2)oc1C
InChIInChI=1S/C17H18N2O5/c1-3-22-16(21)14-10(2)24-17(18-14)19-15(20)12-8-11-6-4-5-7-13(11)23-9-12/h4-7,12H,3,8-9H2,1-2H3,(H,18,19,20)/t12-/m0/s1
InChIKeyFWBKBLYXTARUBF-LBPRGKRZSA-N
MW330.34 g/mol
LogP2.35
Rot. Bonds4

About ethyl 2-[[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-5-methyl-1,3-oxazole-4-carboxylate

ethyl 2-[[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-5-methyl-1,3-oxazole-4-carboxylate (PubChem CID 124623424) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is ethyl 2-[[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-5-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-5-methyl-1,3-oxazole-4-carboxylate
PubChem CID124623424
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Nameethyl 2-[[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-5-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(NC(=O)[C@@H]2COc3ccccc3C2)oc1C
InChIInChI=1S/C17H18N2O5/c1-3-22-16(21)14-10(2)24-17(18-14)19-15(20)12-8-11-6-4-5-7-13(11)23-9-12/h4-7,12H,3,8-9H2,1-2H3,(H,18,19,20)/t12-/m0/s1
InChIKeyFWBKBLYXTARUBF-LBPRGKRZSA-N
XLogP2.35
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-5-methyl-1,3-oxazole-4-carboxylate with MolForge

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Related Compounds

ethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-5-methyl-1,3-oxazole-4-carboxylate
CID 124623423
ethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 40840537
ethyl 3-(3,4-dihydro-2H-chromene-3-carbonylamino)benzoate
CID 134041128
ethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 40840539
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
(3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97072881
methyl 4-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]benzoate
CID 9243838
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
propyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 60731106
(4-ethoxycarbonylphenyl) (3R)-3,4-dihydro-2H-chromene-3-carboxylate
CID 9455774
N-(4,6-dimethyl-2-pyridinyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22105811
ethyl 5-(3,4-dihydro-2H-chromen-3-yl)-1,3,4-oxadiazole-2-carboxylate
CID 115960744

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-5-methyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-5-methyl-1,3-oxazole-4-carboxylate (CID 124623424) is ethyl 2-[[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-5-methyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-5-methyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-5-methyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(NC(=O)[C@@H]2COc3ccccc3C2)oc1C.
What is the InChIKey of ethyl 2-[[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-5-methyl-1,3-oxazole-4-carboxylate?
The InChIKey is FWBKBLYXTARUBF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-3-22-16(21)14-10(2)24-17(18-14)19-15(20)12-8-11-6-4-5-7-13(11)23-9-12/h4-7,12H,3,8-9H2,1-2H3,(H,18,19,20)/t12-/m0/s1.
What are the key properties of ethyl 2-[[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-5-methyl-1,3-oxazole-4-carboxylate?
ethyl 2-[[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-5-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-5-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 124623424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).